Instant JChem Changes

See also Marvin changes and JChem changes.
These changes will also be automatically included in IJC since IJC uses Marvin and JChem.
For IJC Server and Webclient release notes see Instant JChem Webclient changes

6.X Releases

Version numbers were increased to 6.x to be in sync with Marvin and JChem

Apr 14 2014: 6.2.2

Patch release.

Marvin/JChem 6.2.2 are used. JChem tables and IJC metadata will be regenerated from the 6.2 version.

Bugs fixed

  • Fixed SQLSyntaxErrorException for tables in other DB schema for users in user mode.

Mar 4 2014: 6.2.1

Patch release.

Marvin/JChem 6.2.1 are used. JChem tables and IJC metadata will be regenerated from the 6.2 version.

New Features or Improvements

  • Improved connection to multiple schemas at the same time

Bugs fixed

  • Fixed a problem fields in tabbed pane did not always update when advancing records
  • Fixed a problem with Instant JChem 6.2 not working properly with Oracle 9i database

Jan 30 2014: 6.2

Feature release.

Marvin/JChem 6.2 are used. IJC and JChem tables will be regenerated from the 6.1.x versions.

New Features or Improvements

  • Added support for Microsoft SQL Server database
  • Improved changing of values of fields, that participate in relationships, via Groovy
  • Spring Framework/Security was updated to 3.1.4
  • Switched to Java 7 as main platform, while retaining support for Java 6
  • Improved data retrieval for charts
  • Added persistence to Form API for Tree Table Widget and for Charts
  • Improved querying for info about cartridge tables
  • Improved dashboard font anti-aliasing
  • Improved adding defalut roles in the security settings
  • Improved selection update performance of more complicated forms
  • Bind widget to fields dialog now remembers last used "bounds"
  • Added support for Spotfire 5.5

Bugs fixed

  • Fixed a problem with copying of a form shared by other user
  • Fixed a bug with editing of the button script
  • Fixed some minor issues with Restore Schema from ZIP Backup functionality.
  • Fixed a problem when Give ownership dialog showed unsorted list of users
  • Fixed a problem with a confirmation dialog for deleting a child row not showing the row id
  • Fixed a problem with IJC not starting on Mac OS X Maverics
  • Fixed pop-up menus not showing all fields if the pop-up menu did not fit the screen
  • Fixed tooltip not showing value without field name
  • Fixed a problem when Standard/Cartridge entity allowed creating new chemical term fields via database view
  • Fixed a problem with querying on two child entities at the same time
  • Fixed single field widgets added to Form View starting with empty selection
  • Fixed "Give ownership" dialog not showing sorted list of users
  • Query builder used to run query from calculated field caused a crash. Query builder now behaves in the same way as Form View regarding querying calculated fields
  • Fixed font selection for widget customization with Java 7
  • Fixed not working editing of an empty structure on Oracle DB with Cartridge
  • Fixed an issue with Save copy and Closing unsaved views dialogs appearing even if no changes were made
  • Fixed Tools -> Open URL functionality working with Standard License
  • Fixed problems with changing values of fields participating in relationships
  • Fixed case-insensitive search option affecting table joins
  • Fixed some minor issues with Restore Schema from ZIP backup
  • Fixed problems with sorting parent table data by child values when the relation was N:1

Apr 14 2014: 6.1.8

Patch release.

Marvin/JChem 6.1.8 are used. JChem tables and IJC metadata will be regenerated from the 6.1 version.

Bugs fixed

  • Fixed SQLSyntaxErrorException for tables in other DB schema for users in user mode.

Jan 24 2014: 6.1.7

Patch release.

Marvin/JChem 6.1.7 are used. JChem tables and IJC metadata will be regenerated from the 6.1 version.

Bugs fixed

  • Fixed a problem with Java Web Start version of IJC not running on latest Java 1.7.0_51 update

Jan 22 2014: 6.1.6

Patch release.

Marvin/JChem 6.1.6 are used. JChem tables and IJC metadata will be regenerated from the 6.1 version.

Bugs fixed

  • Fixed a problem when stopping a non structure query caused an error.

Jan 9 2014: 6.1.5

Patch release.

Marvin/JChem 6.1.5 are used. JChem tables and IJC metadata will be regenerated from the 6.1 version.

Bugs fixed

  • Optimalized performance of SQL metadata handling
  • Fixed randomly appearing error after startup

Dec 12 2013: 6.1.4

Patch release.

Marvin/JChem 6.1.4 are used. JChem tables and IJC metadata will be regenerated from the 6.1 version.

Bugs fixed

  • Improved the query for sorting 1:1 related entities in grid view to fix a problem when the original query caused ORA-00942.
  • Fixed a problem with fonts customization of the widget when Java 7 is used.
  • Fixed a problem when editing an empty structure in MolPane widget did not work, while Oracle DB with JCC was used.
  • Fied an issue when setting a query operator on text field (in Grid view) and changing it to in list, set '=' operator instead.
  • Fixed a problem when opening a shared project from ijp file, the project did not appear in Project Pane until reopening the project.
  • Fixed an issue when database column names readed as lower case for Admin and upper case for User.
  • Fixed header background missing for the column's header in the table.
  • Fixed a problem when a "Missing Fields" report was absent when Admin connected, but User could see it - now it is visible only for Admin.
  • Fixed a problem when changing a query from "search by selected value" to "between" query operator.

Nov 4 2013: 6.1.3

Patch release.

Marvin/JChem 6.1.3 are used. JChem tables and IJC metadata will be regenerated from the 6.1 version.

Bugs fixed

  • Fixed issues with "Save copy" and "Closing unsaved view" dialogs.
  • Mainly changes in JChem.

Oct 24 2013: 6.1.2

Patch release.

Marvin/JChem 6.1.2 are used. JChem tables will be regenerated from the 6.1 version.

Bugs fixed and new features or improvements

  • Minor changes in the Forms API.
  • Fixed an issue with IJC breaking japanese characters in the XML security configuration.
  • Fixed a problem with not changing text field widget renderer when rebinding to a different field.
  • Added a possibility to highlight, which user is currently in single admin mode.

Oct 2013: 6.1.1

Unreleased.

This version was skipped due to technical difficulties.

Sep 19 2013: 6.1

Feature release.

Marvin/JChem 6.1 are used. IJC and JChem tables will be regenerated from the 6.0.x versions.

New features or improvements

Full Description
  • Form API - allows forms to be created by scripts (documentation).
  • Palette for widgets in form design mode, widgets can be added more easily (feature description).
  • Printable Button widget.
  • Derby JDBC driver updated to 10.10.1.1 version.
  • Upgraded demo projects available online.

Bugs fixed

  • New Prediction action removed from IJC menu.
  • Default size of Import dialog increased.
  • Fixed a problem when Table lost selection after Reload Data action is performed.
  • Fixed a bug when Copy-pasted widget had the same ID as original one.
  • Fixed a bug with N-up printing from Grid view after printing setting were remembered from Form view.
  • Fixed a bug when Cd_structure column is wrongly identified as binary field when promoting MySQL view.
  • Fixed a problem with date field and clearing query in query builder.
  • Fixed T2P database schema name translation support, different DB schema names can be used.
  • Fixed a bug in sheet widget when after editing data, the widget did not update.
  • Fixed a problem when trying to copy a form from other user while opening it caused an error.
  • Fixed a bug when hitting enter in the date field did not start a query.
  • Fixed an inaccurate licensing message when trying to create an Oracle schema with IJC Standard license.
  • Fixed a bug when table lost selection after Reload Data action was performed.
  • Improving error message if retrieving structures fail.
  • Do not show asking dialog about copying shared form of other user if it's disabled in "Tools-> Options -> Confirmations -> Ignore all changes in design of shared views owned by other users".
  • Fixed a bug in copy/paste of widgets.
  • Fixed an issue with editing date value in small table widget in query mode.

Dec XX 2013: 6.0.6

Patch release.

Marvin/JChem 6.0.6 are used. JChem tables will not be regenerated from the 6.0.x version.

Bugs fixed

  • Fixed confusing behaviour when opening shared form offering to Make a Copy even if the form was not modified.
  • Fixed a problem with a confirmation dialog for deleting a child row not showing the row id.
  • Fixed a bug, when trying to edit an empty structure via MolPane was not possible, if Oracle Database together with JChem Cartridge was used.

Sep 12 2013: 6.0.5

Patch release.

Marvin/JChem 6.0.5 are used. JChem tables will not be regenerated from the 6.0.x version.

Bugs fixed

  • Fixed LDAP configuration doesn't allow to change value of objectClass=inetorgperson.
  • Fixed disappearing list after it was edited.

Aug 20 2013: 6.0.4

Patch release.

Marvin/JChem 6.0.4 are used. JChem tables will not be regenerated from the 6.0.x version.

Bugs fixed

  • Allow federated search to be used with standard cartridge entities.
  • Fixed restoring schema zip backups on Mac OS X.
  • Fixed a problem in queryForData method from DFEntityDataProvider trying to retrieve all columns, instead of specified

July 23 2013: 6.0.3

Patch release.

Marvin/JChem 6.0.3 are used. JChem tables will not be regenerated from the 6.0.x version.

Bugs fixed

  • Fixed compatibility with ChemDraw 13
  • Frequently Asked Questions page created - IJC FAQ

July 2 2013: 6.0.2

Patch release.

Marvin/JChem 6.0.2 are used. JChem tables will not be regenerated from the 6.0.x version.

June 24 2013: 6.0.1

Patch release.

Marvin/JChem 6.0.1 are used. JChem tables will not be regenerated from the 6.0.x version.

Bugs fixed

  • Fixed error with exporting to Excel
  • Fixed issues with incorrectly working licences
  • Fixed maximum memory settings for 64-bit IJC, corrupting path to JRE in instantjchem.conf
  • Updated toolbar for user interface consistency with Marvin
  • Fixed unbound widgets in tabbed panel

May 24 2013: 6.0

Feature release.

Marvin/JChem 6.0 are used. IJC and JChem tables will be regenerated from the 5.12.x versions.

New features

Full Description
  • New Welcome Screen, now called Dashboard.
  • Dashboard is maximized by default.
  • Persistent sorting configuration and possibility to configure default sort.
  • New start option to set own HTML page as startup page in Dashboard.
  • Multi selection in master can show union of rows in detail.
  • Groovy updated to 2.1.2.
  • Export wizard features Configuration step, and last used configuration is remembered.
  • "Markush reduction" option added into Show/Hide R-groups toolbar button.
  • GUI facelift with new icons and splash screen.
  • Domain search in form-based query.
  • Owner of items can transfer ownership to another user.

Minor improvements

  • Added Spotfire integration support for relational data.
  • New scripting hooks for Text field widget - beforeEdit and afterEdit.
  • Implemented a default scripting hook for all widgets in a form.
  • New option for tautomer search to ignore tautomer stereochemistry.
  • Added support for transfer entities based on database views.
  • "Contains" operator made to be default instead of "=" operator for text field queries.
  • Chemical terms columns are now promotable for Cartridge standard entity.
  • Ability to lock toolbar navigation arrows to root entity only.
  • Ability to search Current Results in Domain Search.
  • Improved performance for sheet widget, column-based data retrieval.

Bugs fixed

  • Fixed improper locking of DFLock in Groovy examples.
  • Fixed permanently being asked for Metadata upgrade.
  • Fixed displaying incorrect similarity scores in similarity search of reactions.
  • Extra attributes can be edited by double-click.
  • Fixed exception when creating List widget.
  • Fixed widget binding to newly joined table via existing edge.
  • Fixed errors in R-group table during copying the structure or additional fields.
  • Fixed verification of Standard and Enterprise licenses.
  • Fixed database password visibility in logs with enabled SQL logging.
  • IJC does not know about JChemPropertyTable in user mode on MySQL.
  • Improved performance of table sorting.
  • Disabled function Save Results as Local Database... for SQL Entity type.
  • Fixed bug with using TNS keyword-value syntax in connection URL for Oracle DB in T2P tool.
  • Fixed a Tree Table widget bug during field deletion.
  • Fixed table row header updating.
  • Fixed a bug with unrecognised JDBC type for date.
  • Fixed UnknownFormatConversionException when views with certain characters (e.g. '%') could not be opened.
  • Fixed SSS-duplicate tautomer search problem in the Search Dialog.
  • Fixed a Mac OS X specific bug with copy/paste in grid view.
  • Fixed issues during printing of Sheet Widget
  • Fixed standard copy action - copies molecules as smiles now.
  • Fixed Copy to MS Office not working when molecules are copied.
  • Fixed Copy to MS Office for fields from multiple entities.
  • Fixed detection of JChem for Excel export format.

5.X Releases

Version numbers were increased to 5.x to be in sync with Marvin and JChem

Nov 1 2013: 5.12.6

Patch release.

Marvin/JChem 5.12.6 are used. JChem tables will not be regenerated from the 5.12.5 version.

Bugs fixed

  • Allow federated search to be used with standard cartridge entities.
  • Fixed a problem in queryForData method from DFEntityDataProvider trying to retrieve all columns, instead of specified

Aug 23 2013: 5.12.5.1

Patch release.

Marvin/JChem 5.12.5 are used. JChem tables will not be regenerated from the 5.12.x version. IJC tables will not be regenerated from the version 5.12.3.1 and onwards. Projects from a newer major version can not be used with this version.

Bugs fixed

  • Fixed DFEntityDataProvider.queryForData(query, fields, ...) tries to retrieve all columns from db instead of required
  • Fixed usage of federated search on Standard tables with JChem Cartridge index.

May 7 2013: 5.12.4

Patch release.

Marvin/JChem 5.12.4 are used. JChem tables will not be regenerated from the 5.12.x version. IJC tables will not be regenerated from the v5.12.3.1

Bugs fixed

  • Fixed sorting of fields on Oracle e.g. in Promote table dialog.
  • Fixed setting of default field value.

Apr 18 2013: 5.12.3.1

Patch release.

Marvin/JChem 5.12.3 are used. JChem tables will not be regenerated from the 5.12.x version. IJC tables will need regeneration in order to update column JDBC types. The change is backward compatible with 5.12.x.

Bugs fixed

  • Fixed copying values from child entity fields in a multi-entity table widget.
  • Fixed exceptions after deleting a db column used in a calculated field.
  • Fixed structure search with older JChem cartridge.
  • Fixed deadlock in button scripts.
  • Fixed Oracle Float detection in the SQL Entity creation wizard.
  • Fixed OracleText search on a child table.
  • Fixed problems with OracleText search and OracleText index detection.
  • Fixed Oracle TIMESTAMP data type handling.

Apr 12 2013: 5.12.3

Patch release.

Marvin/JChem 5.12.3 are used. JChem tables will not be regenerated from the 5.12.x version. IJC tables will not be regenerated from the v5.12.2.

Bugs fixed

  • Fixed error while running similarity search.
  • Fixed NPE while deleting schema with opened form containing text field widget.

Apr 3 2013: 5.12.2

Patch release.

Marvin/JChem 5.12.2 are used. JChem tables will not be regenerated from the 5.12.x version. IJC tables will need regeneration because of some new features. The change is backward compatible with 5.12.x.

Bugs fixed or minor improvements

  • Performance improved during rapid scrolling - CLOB reading optimization on Oracle.
  • JChem Cartridge queries are canceled immediately.
  • Basic implementation of the OracleText feature.
  • Fixed bug with dropped cartridge index when dropping structure entity based on DB view.
  • Fixed bug with child's entity data if logged in as Schema administrator.
  • Fixed problem with non refreshing data from child entity in Table widget.
  • Fixed problem with fields from another entity in calculated fields (Forum topic).
  • PNG images are pre-selected as default structure format in Export to Excel dialog if JChem for Excel is not installed on the computer (Forum topic).

Mar 20 2013: 5.12.1

Patch release.

Marvin/JChem 5.12.1 are used. IJC and JChem tables will not be regenerated from the 5.12.0 version.

Bugs fixed or minor improvements

  • Editable SQL Entity definition.
  • Better accessible Stop query button (right icon in the main toolbar).
  • Shorter delay while stopping queries.
  • Fixed deadlock when navigating back in new SQL Entity wizard.
  • Fixed reading of old count(*) query definitions.
  • Fixed when selected cell was not highlighted in MolMatrix when clicking into partly visible row.

Mar 8 2013: 5.12.0

Feature release.

Marvin/JChem 5.12.0 are used. IJC and JChem tables will be regenerated from the 5.11.x versions.

All installers bundled with Java using JRE 1.6.0_41.

New features and improvements

Full Description
  • Performance
    • Column-based data retrieval.
    • Fixes to errors when scrolling through the results quickly.
    • Automatic setting of Java Heap Memory if possible (-Xmx param), likely to be set to more than 512MB.
  • Security
  • Scripting
    • Better stacktrace in groovy scripts.
    • Fixes to problems with JChemCartridgeJChemBaseCapability and JChemCartridgeStandardCapability.
    • Handle errors during scriptable event handling
  • Usability
    • Equal operator is set as default in query mode => you can enter a value without operator (Full feature description).
    • Ability to disable snap-to-edge in form designer Documentation).
    • Possibility of sorting according to child entity fields in the table.
    • Showing the entity name in the tooltip of table column headers. Useful when there are fields from different entities shown in the table.
    • Pre-filled field default values in insert row dialog for detail entities.
    • Mandatory fields shown in red if required but missing in Add new row dialog.
  • ETL functionality for database administration
    • Saving of results to a local database schema, allowing for data in destination schema to be edited but not for new rows to be added - no migration of the db sequences (Documentation).
    • Test2Production - metadata migration tool. Migrates IJC objects from an IJC source schema to a destination schema, schema IDs of both must be identical. Migrates only changes in IJC_* tables; no other (i.e. chemical) data are migrated Documentation).
  • SQL Entity - new flexible entity type defined by a SQL statement (Full feature description).
  • MolMatrix widget supporting text fields also in standard entities.
  • MolMatrix printing.
  • Support for composite LDAP user search.

Bugs fixed or minor improvements

  • Fixes for NULLs in LIST type variable being replaced in calculated fields. Some new variable types implemented, please see the (full feature description).
  • Chemical terms fields and calculated fields supporting MIME type.
  • Better handling large data in Spotfire integration.
  • Fixed few errors in IJC/Spotfire synchronization.
  • Fixed displaying Gridviews with more than one 1:1 related tables.
  • Fixed wrong decimal mark in Gridview when using e.g. German locale in Windows (Forum topic.)
  • Fixed not persisted settings if the number format has decimal places set to 0.
  • Fixed adding reactions to a reaction table without standardizer license.
  • Updated reaction library.
  • Fixed welcome screen not showing bottom panel (forum) when proxy is set.
  • Fixed missing rows after sort if there are missing rows in _JCX index table.
  • Fixed SQLException: Protocol violation when reading large CLOBs (Forum topic).
  • Improved New Script and New View dialogs contains Script type and View type pre-filled by default.
  • Fixed ignored Structure Format in Extra attributed when importing SD file (Forum topic).
  • Fixed error when printing unformatted decimal number.
  • Improved visage of printed boolean fields.
  • Fixed ugly sheet widget when more rows are visble.
  • Fixed Markush substructure highlight issue after search with homology group narrow translation.
  • Button Widget visage improved in Mac OS.
  • Fixed help in IJC Marvin Sketch sketcher.
  • Improved performance of TreeTable with larger datasets. (Forum topic).
  • Fixed non-working search cancelling without JChem Cartridge.
  • Fixed not shown values in group field when the same field is visible as value field in TreeTable.
  • Fixed Query Builder not working correctly with more than two substructure queries.
  • Fixed decryption of credentials in Prepared Configuration (Forum topic).
  • Improved error reporting of cartridge queries.
  • Fixed Sheet widget / field manager, order modification does not persist.
  • Fixed Grid view does not show value in 'View Value' when field is from child table.
  • Made Count(*) query working for nested detail tables.

Jan 24 2013: 5.11.5

Patch release.

Marvin/JChem 5.11.5 are used. IJC and JChem tables will not be regenerated from the 5.11.x versions.

Bugs fixed or minor improvements

  • Fixed copy-paste of widgets, allowing all widgets to be copied to clipboard.

Nov 22 2012: 5.11.4

Patch release.

Marvin/JChem 5.11.4 are used. IJC and JChem tables will not be regenerated from the 5.11.x versions.

Bugs fixed or minor improvements

  • Fixed usage of ROWID as ID field in Oracle views.
  • Fixed init and destroy methods in button scripts (Forum topic).
  • Fixed disabled paste action of widgets in form designer.

Oct 26 2012: 5.11.3.1

Patch release.

Marvin/JChem 5.11.3 are used. IJC and JChem tables will not be regenerated from the 5.11.x versions.

Bugs fixed or minor improvements

  • Fixed schema init failure in 'Normal mode' when using std/cart entity which involves a db view as the main table.
  • Fixed disabled paste action of widgets on switching to design mode.
  • Fixed SQL Filter extra attribute persistence on standard entity.
  • Implicit heap memory (-Xmx) settings set back to 512MB.

Oct 22 2012: 5.11.3

Patch release.

Marvin/JChem 5.11.3 are used. IJC and JChem tables will not be regenerated from the 5.11.x versions.

Bugs fixed or minor improvements

  • Fixed not working import without standardizer license.
  • Fixed domain search using list of non-ID field.

Oct 17 2012: 5.11.2

Patch release.

Marvin/JChem 5.11.2 are used. IJC and JChem tables will not be regenerated from the 5.11.x versions.

Bugs fixed or minor improvements

  • Fixed mixed-up aggregated values in Tree Table.
  • Fixed slow New Chemical Terms Field dialog.
  • Fixed multiply(a,b,..) function in Calculated fields (Forum topic).
  • Fixed ConcurrentModificationException when scrolling through a list of compounds.

Oct 3 2012: 5.11.1

Patch release.

Marvin/JChem 5.11.1 are used. IJC and JChem tables will not be regenerated from the 5.11 version.

Bugs fixed or minor improvements

  • Decimal number zero gets formatted correctly when significant figures are used.
  • In list operator can be used with values in parenthesis.
  • Fixed few bugs in TableTree widget.

Sep 14 2012: 5.11.0

Feature release.

Marvin/JChem 5.11.0 are used. IJC and JChem tables will be regenerated from the 5.10.x versions.

New features and improvements

Full Description
  • Performance
    • Faster schema initilization if connecting in user mode.
    • Optimized access to JCHEMPROPERTIES and to IJC_* tables leads to faster schema init.
    • Fixed schema initialization performance when std/cart based db views are used.
  • Chemistry
    • R-Group table improvements
      • Preserving R-group orientation and coloring.
      • Ability to choose molecule format for R-group structure fields.
      • R-group columns are located right after structure column by default.
    • Added Markush structure enumeration to JChem tables.
  • Scripting hooks
    • Custom double-click action for MolPane, MolMatrix, Text field, Text area, Table and Grid view.
  • Results are coming continuously while the search runs - no more modal Running the query dialog.
  • Improved error reporting from JChem Cartridge searches.
  • Improving copy/paste functionality into MS Office applications.
  • Export to Excel 2007 file format (.xslx support).
  • Export to Excel in JChem for Excel format.
  • New Tree Table widget used for grouping rows according a field value - Experimental.

Bugs fixed or minor improvements

  • Fixed handling proxy PAC file URL redirection.
  • Fixed error when dataset in boxplot contained one data point.
  • Customizable rows limit for box plot.
  • Fixed Grid view synchronization when field are added by own java plugin code.
  • Fixed NPE in Text field if defined discrete values on the field.
  • Fixed not working startup switches on ijc.exe - using intantjchem.exe instead and removing ijc.exe from installation directory.
  • Fixed content of zip file when using Backup schema to ZIP file...
  • Fixed SQL parser error when parsing dblink identifiers that contain dot character (eg. '.').
  • Save current query definition under Tools -> Experimental -> Save Current Query.
  • Fixed failing cartridge filter query for dates.
  • Fixed saving structures in MolMatrix in defined molecule format.
  • Added multi-selection for MolMatrix on MacOS - Meta+Click add/remove the cell to/from selection.
  • Removed row count for detail tables in gridview.
  • Pick-up schema dialog sorts schemas alphabetically.

Sep 18 2012: 5.10.4

Patch release.

JChem/Marvin 5.10.4 are used. IJC and JChem database tables will not be updated from 5.10.x.

Bugs fixed

  • Fixed bug when the value in another row could be accidentally deleted during manual editing in multi-entity table.
  • Fixed unsuccessful deletion of Chemical Terms field columns in Standard structure tables on Oracle cartridge.

Aug 15 2012: 5.10.3

Patch release.

JChem/Marvin 5.10.3 are used. IJC and JChem database tables will not be updated from 5.10.x versions.

Jul 17 2012: 5.10.1

Patch release.

JChem/Marvin 5.10.1 are used. IJC and JChem database tables will not be updated from 5.10.0.

Bugs fixed

  • Fixed Non-hits search option on cartridge.
  • Fixed crash in charts when category field contains null values.
  • Fixed gridview refresh/synchronization when adding fields via users java code.
  • Removing redundant ctFilter search option on cartridge (generated twice).

Jun 20 2012: 5.10.0

Feature release.

Marvin/JChem 5.10.0 are used. IJC and JChem tables will be regenerated from the 5.9.x versions.

New features and improvements

Full Description
  • Performance
    • Performance improved for loading detail data in relational data trees. Reduced number of database calls for many-to-one and one-to-one relationships.
    • Optimisation of SQL statements for table component.
    • Removing unnecessary ALTER SESSION statements and jchem_core_pkg.init() calls.
    • Avoiding reading information about sequences during the schema initialisation process if it is not needed thus improving schema init performance.
    • Removing reading the table foreign keys during schema init. They are read only when needed, which is rarely.
    • Removing DISTINCT statement from ID retrieval in some cases. This improves query performance.
    • Much faster reading ALL_TAB_COLUMNS.DATA_DEFAULT column on Oracle, hence improving schema init performance.
  • Database and Connection
    • Improving connection pool settings thus preventing several connection errors to occur.
    • Added support for relational data access to OData adapter.
  • Ability to import structures from pdf and other document formats (doc, docx, xls, xlsx, ppt, pptx, odf, txt, html, xml) according the names.
  • Structure format and image size can be specified during export to Excel file.
  • Possibility to enumerate a Markush structure to JChem table.
  • Marvin services can be installed to JWS using commandline options (Documentation).
  • Query (Full features description)
    • A new implicit 'COUNT(*)' field is made available which allows the user to return parent records with a specified number of child records (When COUNT(*)=0 then this is equivalent to 'NOT EXISTS').
    • Added structure search options for R-group atom matching, exact query atom matching and halt on error.
    • Added two R-atom matching search options: Bridging R ligand allowed and R ligand equality check (Documentation).
  • Scripts
    • Scripts can be easily cancelled by using cross-end button appearing in the right-bottom corner during script execution.
    • A new built in script, configurable in the schema editor which can run groovy code against the schema after and prior to login and logout events.
    • Button scripts are validated at runtime in the editor and a detailed feedback is returned when there is an error in the script.
    • Adding some default IJC API imports to scripts (Documentation).
    • Added ability to share scripts between users.
  • Widgets
    • Table widget allows to show data from multiple entities (Full feature description).
    • Utilization of new Column manager and field selector.
    • Added structure display option for showing absolute stereo flag.

Bugs fixed or minor improvements

  • Fixed incomplete search results in Markush Viewer.
  • Markush Viewer is used as a viwer for Markush structures in MolMatrix (shortcut F3).
  • Fixed problem when column with empty name was printed with field's name.
  • Export of compressed MOL files allowed too large coordinate values which caused distortion in the molecule after import it.
  • Fixed exporting comlumn names without spaces upon RDF export.
  • Fixed AssertionError when fields could not be found in the entity. Particularly when working with text columns with discrete set of values (Forum topic).
  • Drop-down list of discrete values is kept up-to-date and contains all values even after editing.
  • Database and Queries
    • Fixed problem with DB security filter - SQL Filter (Forum topic).
    • R-group decomposition and undefined R-atom search now handles the case when the query contains both undefined R-atoms and R-groups with definitions.
    • Fixed problem when CT Filter in Form-based query reset search options.
    • Implemented Halt on error search option - if set to no search continues on error (eg. in CT filter) and returns as many hits as possible (Documentation).
  • UI
    • Fixed error in Browser widget pop-up menu.
    • Minor UI improvements in Personal server manager and better exception handling.
    • Fixed missing project icons in Open Project dialog.
    • Fixed broken Ctrl+P shortcut for printing.
  • Scripts
    • Script errors are shown in the Output window and do not disturb in an anoying error dialog.
    • Fixed bug when layout of button script editor did not resize correctly.
    • Script editor usability improvement (eg. run script by using Ctrl+R shortcut, name of executed script written in output window).
  • Widgets
    • Fixed problem with charts when all IDs would be retreived unnecessarily in some cases. Caused performance problem with large data sets.
    • Fixed problem with printing charts.
    • Fixed NPE when deleting field from sheet widget.
  • Fixed problem that standardizer file was modified when user did not want to save changes.
  • Multi column data in the clipboard can not be pasted as a new list.
  • Fixed problem with training functionality.
  • Closing communication with Tibco Spotfire if IJC is closed.
  • Spotfire extension is properly signed by Chemaxon as the publisher.

May 9 2012: 5.9.4

Patch release.

Marvin/JChem 5.9.4 are used. IJC and JChem tables will not be updated from 5.8.x.

Bugs fixed

  • Fixed JChem public packages exposed in IJC.

Apr 25 2012: 5.9.3

Patch release.

Marvin/JChem 5.9.3 are used. IJC and JChem tables will not be updated from 5.8.x.

Apr 12 2012: 5.9.2

Patch release.

Marvin/JChem 5.9.2 are used. IJC and JChem tables will not be updated from 5.8.x.

Bugs fixed

  • Fixed problem with line endings when exporting SDF files.
  • Better diagnostics in JWS launcher.

Apr 6 2012: 5.9.1

Patch release.

Marvin/JChem 5.9.1 are used. IJC and JChem tables will not be updated from 5.8.x.

Bugs fixed

  • Fixed problem with structures shown in ballstick.
  • Fixed various connection problems and connection losts.
  • Fixed problem with popped up exceptions from JDBC calls when SQL logging is on.
  • Fixed problem with blank rows when records was missing in index Cartridge table.
  • Prediction of chemical properties can be run.

Mar 6 2012: 5.9.0

Feature release.

Marvin/JChem 5.9.0 are used. IJC and JChem tables will not be updated from 5.8.x.

New features and improvements

Full Description
  • Database and Connection
    • Added support for encrypted JDBC connection on Oracle.
    • Tooltip on schema in project explorer is showing additional user info (schema admin mode, roles, etc.) (Forum topic).
    • Improved performance when building relationships.
  • A new security policy added to support the OAM and WIRE integrated authentication/authorization providers.
  • Queries
    • Alow to cancel Cartridge queries.
    • Improvements to SQL logging.
  • Widgets
    • Allow to customize properties of multiple widgets at once.
    • Customizable tooltip field for widgets and tables.
    • Allow to minimise space between border and widget content to make better use of space on form.
  • Ability to parse text within PDF files and import structures.
  • Improvements to RDF export of secondary structures with regards to compatibility with ISIS.
  • Added support for structure search through the Schema to OData adapter.
  • External libraries are supported in Groovy scripts.
  • Persistent print settings (page size, orientation, margins, header & footer content).

Bugs fixed or minor improvements

  • Database and Queries
    • Optimisation of SQL for table components.
    • Performance improvement in retrieval relational data when there is only one element.
    • Fixed error when cancelling data retrieval.
    • Fixed error in executing complex Markush relational query.
  • Connections
    • Fixed error with lost entities when loading mode Load as needed was set.
    • Fixed error in handling usernames in ijc_user table.
    • Added timeout for shared projects connections.
  • Widgets and UI
    • Fixed error when scrolling MolMatrix with conditional formatting.
    • Fixed error when moving structures in the IJC 5.8 sketcher (Forum topic).
    • Persist absolute label setting in Structure renderer.
    • Fixed error when cutting Panel or Tabbed Panel widget.
    • Fixed error when column manager erases settings of column headers.
  • Fixed error in printing forms with calculated fields.
  • Fixed error during closing IJC when reading row numbers still happening.
  • Fixed problems in Marvin calculator plug-in services.

Feb 10 2012: 5.8.2

Patch release with newer JChem libraries.

Marvin/JChem 5.8.2 are used. IJC and JChem tables will be updated from 5.7.x and will no longer be usable with 5.7.x versions.
Local databases will be updated to a new version of Derby and will no longer be usable in 5.7.x versions.

Bugs fixed or improvements

  • Fixed problem with LDAP security not being backward compatible with 5.7
  • Show RGroup decomposition menu in main menu.
  • Fixed problem with evaluation of calc field being skipped when there is no child row.
  • Optimised building table/column info for relationships to avoid performance problem.

Jan 24 2012: 5.8.0

Feature release.

Marvin/JChem 5.8.0 are used. IJC and JChem tables will be updated from 5.7.x and will no longer be usable with 5.7.x versions.
Local databases will be updated to a new version of Derby and will no longer be usable in 5.7.x versions.

New features and improvements

Full Description
  • Database
    • Derby database used for local databases upgraded to version 10.8.1.2
    • Oracle JDBC driver is actually version 11.1.0.7.0 for Java SE 6 despite the fact that the module number is 11.2.0.2.1
    • LOGIN_COUNT column added to IJC_USER table to record the number of times each user logs in to IJC
    • Connection pool parameters changed to reduce number of permanent database connections. These settings can be configured.
  • Connect to schema
    • Single user mode removed. Administrator can make changes to the IJC schema at their own risk while other users are connected.
  • Box plot widget, allowing distributions of values to be displayed graphically
  • Personal server
    • Added server providing access to IJC data as OData, using RESTful web service
    • Spotfire plugin allowing import of IJC data into Tibco Spotfire (experimental feature)
  • Form builder
    • Conditional formatting does not mask selection in table widget or grid view
    • Row height of sheet widget is configurable
    • Form definitions are loaded when needed, rather than at start
  • Scripting
    • Groovy version updated to 1.8.4
    • Various improvements to script editor
    • Improved documentation and examples
    • Scripts can be run without need to open in editor.
  • Query
    • Chemical terms filter added to form based query
  • Markush
    • Search options can now be specified during Markush enumeration
    • Added ability to just show R-groups in R-group decomposition

Bugs fixed or minor improvements

  • Login default changed to Multi-user mode
  • Single user mode problems solved
  • Databases
    • Improved decimal number fields handling on Oracle
    • Fixed removal of extra attributes from entity - ie. permissions can be again easily added/removed
  • Printing
    • Fixed error when using add/remove list from current results when using text based fields
    • Fixed printing calculated fields producing double values
    • Fixed printing of very wide tables
    • Fixed printing of background colours in table headers
    • Printing of molecules improved
  • UI
    • Increased width of max hits text field in overlap analysis dialog
    • Increased width of current row text field in main toolbar
    • Better descriptions in sharing dialog
  • Widgets
    • Implemented view value action in MolMatrix
    • Fixed lost of focus on editing text field widget with multiple values
    • Better handling of too small or too large values in charts
    • Improvements in scaling of axes in scatter plot when data changes
    • Fixed reseting coordinates in charts
    • Removed minimal row height in tables
    • Top and bottom alignment actions added to form designer
    • Fixed redirecting in browser widget
  • Fixed various bugs in RDF import/export
  • Fixed problem with deletion of calculated field
  • Fixed wrong structure renderer settings
  • Script failures are written to log file
  • Fixed bug in Marvin services client
  • Fixed sorting of detail tables on Derby
  • Cut function removed from browse mode in form/grid view
  • Calculated fields are supported in lists
  • Forms/Gridviews configuration is loaded to memory only when needed. This speeds up connecting to schema especially on remote databases when schema contains lots of complex forms.

Feb 7 2012: 5.7.2.1

Patch release with one particular improvement.

Marvin/JChem 5.7.2 are used. IJC and JChem tables will not be updated from 5.7.x versions. This version cannot be used with 5.8.x projects

New features and improvements

  • Optimising speed of building relationships

Jan 30 2012: 5.7.2

Patch release with newer JChem libraries.

Marvin/JChem 5.7.2 are used. IJC and JChem tables will not be updated from 5.7.x versions. This version cannot be used with 5.8.x projects

Bugs fixed or improvements

  • Only change is the update of JChem/Marvin libraries.

Jan 26 2012: 5.7.1.1

Patch release with one ported feature.

Marvin/JChem 5.7.1 are used. IJC and JChem tables will not be updated from 5.7.x versions. This version cannot be used with 5.8.x projects

New features and improvements

  • Connection pool parameters changed to reduce number of permanent database connections. These settings can be configured.(User's guide)

Jan 5 2012: 5.7.1

This is primarily a stabilisation release with relatively few new features.

Marvin/JChem 5.7.1 are used. JChem tables will be updated from 5.6.x and will no longer be usable with 5.6.x versions.

Bugs fixed or improvements

  • Possibility to change fonts in a form globally in one run
  • Fixed problem with 'Default header font' property in table customiser, it was in fact the font from widget border
  • Added print guidelines to form designer
  • Improved space handling of header and footer when printing
  • Fixed printing of calculated fields

Nov 28 2011: 5.7.0

This is primarily a stabilisation release with relatively few new features.

Marvin/JChem 5.7.0 are used. JChem tables will be updated from 5.6.x and will no longer be usable with 5.6.x versions.

Bugs fixed or improvements

  • Case insensitive search support for text fields
  • Added option to export structures in SMILES when exporting to Excel
  • Basic support for calculated fields in lists
  • Improved relational data retrieval performance
  • Chemical-Terms filter added to a context menu in form based queries
  • By default showing relevant R-groups when searching structures
  • Correct colour schema used when showing R-groups hits
  • Fixed badly formated SDF export
  • Fixed Ctrl+C in widgets
  • Fixed problems when using RAW db type
  • Fixed importing decimal numbers on locales that use comma as the decimal separator
  • Various printing fixes: structures from child table, boolean text-fields, no font defined
  • Fixed refreshing files in Projects window
  • Fixed query performance degradation found in IJC 5.6.x
  • Fixed problem with deleting additional query terms
  • Fixed domain searches with large lists of IDs
  • Fixed some Chemical-Terms templates

Oct 27 2011: 5.6.0.3

Minor bug fix release.

Marvin/JChem 5.6.0.3 are used. IJC and JChem tables will not be updated from 5.6.0.2

Bugs fixed or minor improvements

  • Fixed RDF import of secondary structures
  • Fixed navigation through entries by arrow keys in relational form views
  • Fixed problem with Oracle/Cartridge relational queries

Oct 17 2011: 5.6.0.2.1

Minor bug fix release.

Marvin/JChem 5.6.0.2 are used. IJC and JChem tables will not be updated from 5.6.0.2

Bugs fixed or minor improvements

  • Removed extensive logging of SQL parser exceptions when there are DB view problems
  • Fixed schema init performance regression related to loading DB views
  • Fixed problems with Oracle/Cartridge queries

Oct 5 2011: 5.6.0.2

Minor bug fix release.

Marvin/JChem 5.6.0.2 are used. IJC and JChem tables will not be updated from 5.6.0

Bugs fixed or minor improvements

  • License manager bug in JChem search fixed.

Sep 28 2011: 5.6.0

Feature release.

Marvin/JChem 5.6.0 are used. IJC and JChem tables will be updated from 5.5.x and will no longer be usable with 5.5.x versions.

New features and improvements

Full Description
  • JChem cartridge
    • Support for views of cartridge tables as structure entities
    • Improved query performance for some types of JChem cartridge query
  • Cherry picking for list management
  • R-group deconvolution
  • Markush
    • Added homology group search options
    • Improved handling of chemical terms filter
    • Expand homology groups is off by default
    • Options for 2D cleaning
    • Markush structure can be generated from searched result
  • Forms and widgets
    • Selection data layer - allow table and mol matrix to display just selected rows
    • Button widget allows scripts to be performed in forms
    • Double click opens viewer not editor if you only have read-only access
    • Size of form XML reduced, improving load time.
    • Sheet row labels can be edited
    • Markush viewer used for viewing structures
    • Mouse drag action can be configured in molecule pane
    • Ability to remove grouping from decimal numbers
  • Visualisation widgets
    • Rainbow colouring for scatter plot - colour point by separate field
    • Point size in scatter plot can be specified by separate field
    • Logarithmic axes for scatter plot
    • Ability to reverse axis direction in radar chart
    • Selected rows in radar chart are highlighted
    • Demo project includes presentation of the new visualisation features
  • List management - new 'working list' list to support cherry picking
  • Scripting
    • Improved error handling
    • Demo scripts improved
  • Java web start installation directory can be shared on a multi-user system
  • Warning when passwords are included in shared projects
  • Switch to query mode instead of Browse when initial data retrieval is switched off (IJC-3759)

Bugs fixed or minor improvements

  • A bug in the Oracle JDBC driver was causing columns that were created with default values for scale and precision (e.g. NUMBER or INTEGER) to be reported as type NUMBER(0,0), which resulted in these columns being handed by default as integers, when in many cases they should be treated as decimal numbers. This was fixed by reverting the Oracle driver to the 11.1.0.7.0 driver. But the module version must be increased for the module to be upgraded, so this module now has a version of 11.2.0.2.0.1 which is misleading.
  • Fixed problem with structure table being renamed (e.g. to 'Any Structures' when the table type was changed
  • Import
    • Fixed problem with RDF import handling decimal numbers as integers.
    • Fixed problem with standard import with secondary molecule not being recognised due to whitespace being trimmed
  • Much of the printing subsystem has been improved, removing many bugs and quirks
  • Exporting structure fields from child entities is now possible
  • Improved layout and fixes in fields customizer
  • Scatterplot and histogram widgets - correct order of categories in legend for numeric values
  • Scatter plot widget - improved/fixed performance of tooltip
  • Chemistry menu moved to top-level menu from Tools submenu
  • Installers - installation of JChem .NET API doesn't fail without .NET 4.0
  • Clearer error message for admin when users are not logged out correctly
  • Improvements in ChemDraw integration
  • Fixed problems with green borders showing for some form widgets when using Windows Classic theme

Jul 22 2011: 5.5.1

Minor bug fix release.

Marvin/JChem 5.5.1 are used. IJC and JChem tables will be updated from 5.5.0.

Bugs fixed or minor improvements

  • Query
    • Fixed problem in query where moving mouse over stereochemistry radio button can alter other query settings
    • Fixed problem entering values for between operator using form based query
    • Fixed problem with commas disappearing when using 'In List' operator (Forum topic)
  • Fixed problem printing when multiple levels of data are present
  • Schema connect
    • Username+password only stored after successful login
    • Username+password not shown when the NEVER option is specified, even when connection fails
    • Fixed problem with unexpected column types preventing schema being initialised
  • Forms and widgets
    • Allow forms to cope with situation where field binding for MolPane has been lost
    • Fixed problem with form not being saved when using some combination of user settings
    • MolMatrix widget supports the 'Show R-groups' setting
    • MolMatrix widget row height is now correctly persisted
    • Better retention of formatting properties when copying and pasting widgets
    • Fixed NullPointerException from BorderSupport.updateBorder() method
    • Fixed NullPointerException when creating MolPane widget
    • Retention of multiple selection of widgets when right click mouse button is used onto a selected widget
  • Fixed problem when the same fields were not showing 100% mapping on form copy
  • Fixed problem with RDF import not using the specified table names
  • Better handling of exporting data to Excel when input data exceeds 65k rows
  • RXN format used as default for ChemDraw data exchange format, so that reactions can be supported
  • Added mechanism for cancelling scripts
  • Fixed problem with removing fields from the 'Copy fields' dialog in reactor support
  • Search enabled in user guide (Forum topic)
  • Improved sequence creation on Oracle
  • Added support for binary_float and binary_double column types
  • Fixed error when backing up schema to zip file
  • Convert type function can not be applied to an entity field that is sourced from a database view

May 10 2011: 5.5.0

Feature release.

Marvin/JChem 5.5.0 are used. IJC and JChem tables will be updated from 5.4.x and will no longer be usable with 5.4.x versions.

New features and improvements

Full Description
  • Improvements to reactor
    • Copy field from reactants to products
    • Wider range of runtime options
  • Improvements to charts
    • Radar chart added
    • Colour by category
  • Improvements to forms
    • More formatting and display options for widgets
    • Stats bar can be hidden
    • Faster opening
    • Lower memory footprint
  • Zip/unzip local databases
    • Backup and restore a local database
    • Send a local database to another user
  • API examples tutorials re-organised
    • Easier to set up and run the tutorials
    • Less duplication of content
    • Tutorial binaries no longer included in IJC
  • New ways of handling groups in LDAP or Active Directory
  • Markush - display of only those R-group definitions that are involved with matching the query
  • Schema Editor
    • Accordion display rather than tabs
    • Add ability to drop unused table
    • Nodes auto-expanded when opened
    • Ability to correct for errors when missing items from database are found on startup
    • XML for schema items is written to database in more compact from
    • Simplified 'Add Edge' wizard
  • Scripting
    • Groovy version updated to 1.7.10
    • Scripts can be saved
    • Scripts now have access to entire Java API (including all libraries)
  • Deployment
    • 64 bit installers now available
    • Provide mechanism to delete obsolete JWS installations
    • More control over which shared projects are displayed when IJC restarts
    • Uninstaller does better job of removing files
  • Other miscellaneous improvements
    • Syntax of chemical terms favourites simplified
    • Option for encrypting more properties in the .ijs file
    • Added option for format numbers using number of significant figures
    • Improved behaviour of navigation toolbar when multiple rows are selected
    • *_JSU table no longer required to be present for cartridge indexes
    • Overlap analysis now works when target is a cartridge based entity
    • More friendly display of errors
    • TIFF format images now supported for binary fields

Bugs fixed or minor improvements

  • "Saving snapshot" slowness detector disabled
  • Fixed problem with files not being released in VMN file convertor
  • Removed "Show implicit hydrogens" option as no longer present in Marvin
  • Fixed NullPointerException that was sometimes seen when closing projects
  • Fixed some bugs related to reaction enumeration
  • Fixed problem with widgets bing lost from panel widgets when copying form
  • Fixed problem with some widgets settings being lost when copying form
  • Improved encoding of characters in URL fields (Forum topic)
  • Some printing bugs fixed
  • Calculated fields excluded from permanent lists
  • Improved behaviour of fields with distinct values set when using insert row dialog
  • Removed cause of pauses in UI when using schema editor
  • Fixed problem with changes of precision for numbers during Excel export (Forum topic)
  • Fixed problem with form needing saving as soon as it is opened
  • Improved keyboard navigation in MolMatrix widget
  • Fixed problems and inconsistencies with inserting duplicate structures in cartridge based entities
  • Allow multiple widgets to be more easily moved as a single unit
  • Fixed regression resulting in rows not being retrieved from database in bulk

Known issues

  • ChemDraw support does not currently work on 64 bit Windows

Mar 29 2011: 5.4.1.1

Minor bug fix release. Marvin/JChem 5.4.1.1 are used (unchanged from previous release).

Bugs fixed

  • Fixed performance problem with loading IJC schema
  • Fixed performance problem when running structure queries in child tables
  • Fixed problem with showing 'No-Structure' when an empty molecule was displayed by ChemDraw

Feb 22 2011: 5.4.1

Minor bug fix release.

Marvin/JChem 5.4.1.1 are used. Tables should not need updating from 5.4.0.

Improvements

  • Performance and UI improvements with charts
  • Performance improvements with selection
  • Performance improvements with opening forms
  • Reduced memory consumption of forms
  • Provide way to configure handling of RAW column type on Oracle
  • Improvement to 'Add edge' dialog for data trees
  • XML editor for security configurations
  • Scripting can use Marvin/JChem classes
  • Bemis Murcko framework added to chemical terms favourites
  • Increased -J-XX:MaxPermSize parameter to 196m to allow trouble free operation on 64bit Java

Bugs fixed

  • Fixed problems with query results when structure table was child table
  • Fixed problem with import/export of dates
  • Promote table handles columns with decimal numbers better
  • Fixed potential freeze when adding new widgets for form
  • Prevent creation of calculated field that uses a different calculated field
  • Fixed problem with remembering horizontal alignment setting for columns in table widget and grid view
  • Fixed problem running with old versions of Java 1.6 related to JAXB
  • Fixed problem printing form with date widget
  • Fixed problem with editor not working for newly added structure widget
  • Fixed problem with sorting items in the data trees tab of the schema editor
  • Fixed problem with sorting database views in Derby database
  • Fixed problem with dates earlier than Jan/1 1900 in database

Known issues

  • Missing calculator plugin licenses are sometimes incorrectly reported as invalid chemical terms expressions

Jan 11 2011: 5.4.0

Feature release.

Marvin/JChem 5.4.0.1 are used. IJC and JChem tables will be updated from 5.3.x and will no longer be usable with 5.3.x versions. Security configuration will be migrated to new configurations. These changes are quite significant and details are described here. Please read before updating and only upgrade if you are sure you no longer want to use 5.3.x. A backup of earlier data is strongly recommended.

Java 6 must be used. Java 5 is no longer supported. A correct version of Java is included in the installer.

New features and improvements

Full Description
  • New and improved widgets
    • Histogram (*)
    • Scatter plot (*)
    • Structure matrix
    • Multi-field sheet
    • Tabbed pane
  • Conditional formatting (*) - colour code values based on user defined criteria
  • Improvement layout for the schema editor
  • Faster startup performance - faster reading of info from DB and options for optimising this
  • Support for Composite database - Composite is a virtual database allowing data from multiple sources to be accessed as a single datasource
  • Support for ChemDraw as a sketcher
  • Calculated fields - ability to generate a field based on a calculation of values from other fields
  • Improved Markush features - more enumeration and display options, plus the ability to specify the query and target structures
  • LogP training - train the logP calculator with your own data
  • Event logging - significant events can be logged to database tables
  • Role based filtering of items - show/hide data trees and other items for particular users
  • Database authentication with Oracle and MySQL - user database accounts for your IJC login
  • Option to show only a specific data tree using a startup or IJC URL parameter - start IJC with only specific data trees showing
  • Proxy settings handles .pac configuration files
  • Scripting support - scripts can be run against schemas or data trees

(*) Please note that a new "IJC Viz" license is required to use the charting and conditional formatting features. Without a license these features are restricted to "demo mode" where they are active with data containing no more than 350 rows. Examples are available in the Wombat demo data.

Please also note that since IJC 5.4 a license is required to access the full functionality of IJC. Without a license data can still be viewed and queried in IJC, but you cannot create new tables in the database. This allows you to distribute data to collaborators and for them to be able to work with the data without needing a license, but to be able to create and manage the data in the first place you need a "IJC standard" license. An "IJC Enterprise" license is still needed for connecting to remote (Oracle or MySQL) databases. See here for more details.

Oct 7 2010: 5.3.8.1

Minor bug fix release.

Marvin/JChem 5.3.8 are used.

Bugs fixed

  • Fixed problem with autoupdate that could result in IJC continually asking to be updated.
  • Fixed rare problem in building queries in relational data with OR operator

Sept 24 2010: 5.3.8

Minor bug fix release.

Marvin/JChem 5.3.8 are used. JChem tables will not be regenerated from 5.3.7 version.

New features and improvements

  • Added ability to turn off auto-saving of form design in case of very large forms and/or slow databases. When done form must be manually saved.
  • BLOB column now promotable as text field on Derby and Oracle.
  • Improved import of structure name files that do not have .name extension.

Bugs fixed

  • Fixed memory leak in form builder that could result in OutOfMemoryExceptions.

August 16 2010: 5.3.7

Minor bug fix release.

Marvin/JChem 5.3.7 are used. JChem tables will not be regenerated from 5.3.6 version.

New features and improvements

  • "No data" message removed from widgets when no row is present, as this was confusing some users. The consequence is that there is now no way to distinguish between a null value for a row and there being no rows.
  • Improvements in performance when retrieving data for child tables.
  • Improvements to shared project and Java Web Start installation (admin docs).
  • API tutorials updated to current version of IJC.
  • API javadocs improved - new modules were added.
  • Improvements in formatting options for decimal numbers.
  • Better validation of table name length for JChem entities.
  • Warning on startup about different JChem cartridge version only shown to users with ROLE_EDIT_SCHEMA or ROLE_ADMIN roles.

Bugs fixed

  • Fixed problem with horizontal alignment setting for TextField widgets.
  • Fixed problem with blank structure column in grid view and form when using "Display as standardized" together with "View in 2D" option.
  • Fixed problem with data not being updated in views when standardizer is changed.

July 21 2010: 5.3.6

Minor bug fix release.

Marvin/JChem 5.3.6 are used. JChem tables will not be regenerated from 5.3.4 version, though some chemical terms columns may be recalculated.

New features and improvements

  • Oracle: Faster hit list generation and possible improvements in startup time
  • Support for Oracle's ROWID pseudo-column

Bugs fixed

  • Fixed problem with widget properties not being enabled when no rows were present
  • Fixed problem in schema editor where displayed column name was not updated when it was edited
  • Fixed problem where column width was sometimes reset for tables in forms
  • Disabled index creation for binary fields
  • Fixed problem when setting widget title to empty - setting was not saved
  • Form widgets have a minimum size to prevent them being resized to zero and becoming invisible
  • Fixed error during query execution when whole column in grid view was selected
  • Fixed problem caused by Oracle's flashback tables (Forum topic).
  • Fixed problem when creating user defined reaction library (Forum topic).

June 18 2010: 5.3.4

Feature release.

Marvin/JChem 5.3.4 are used. Cache registration table needs adding for each JChem property table, but structure tables will not need regeneration from IJC 5.3.1.

There was no IJC release between 5.3.1 and 5.3.4.

Updates are available through autoupdate and Java Web Start. Installer is also available.

New features and improvements

Full Description
  • Support for multiple database schemas for Oracle.
  • List management can use fields other than the ID field.
  • Improved paste of lists of values into query for 'In list' and 'Not it list' operators.
  • Delete database artifacts checkbox is now unchecked by default and remembers your last setting to reduce risk of deleting tables in database by mistake.
  • Regenerating JChem tables requires ROLE_ADMIN and ROLE_EDIT_SCHEMA whereas previously it needed either of these roles. This makes it easier to restrict who can upgrade JChem tables.
  • Startup performance should be improved, especially for databases with lots of tables.
  • Better estimate of library size for large Markush libraries. Estimate is displayed as exponent of 10 rather than 2. e.g. 10^17.
  • Added command-line option to turn off initial data retrieval for scenario where very large tables or slow databases are used.
  • Improved installer that separates out installation of the .Net components as a separate sub-installer (on Windows only)

Bugs fixed

  • Import
    • Fixed problem importing structures to standard tables (Forum topic).
    • Fixed problem with setting default values during import.
    • Fix problem importing into entity containing dynamic URL fields.
  • Fixed problem with some errors terminating overlap analysis (Forum topic).
  • Sort of mol formula field was not using the cd_sortable_formula column.
  • URL fields
    • Fix problem with URL field created always with default mime type.
    • URL Fields with ftp and https protocols now support authentication.
  • Updating CT expression didn't reload data in views.
  • Results were not updated correctly when queries were run in multi-user mode.
  • Printing now works correctly when disconnected from network.

Known issues

  • Tables with JChem cartridge indexes can only be created in the default schema.
  • JChem table upgrading can only be performed for the default Oracle schema. If you are using additional schemas then these must be updated to JChem 5.3.4 external to IJC (e.g. using jcman).
  • Copy from grid view and paste into sketcher does not work. As a workaround view the structure in the popup view and copy it (Ctrl-C) from there and then paste.
  • Important: Upgrade process will not complete correctly if you have JChem table names that are longer than 24 characters. See this forum topic for details.

February 26 2010: 5.3.1

Feature release.

Marvin/JChem 5.3.1 are used. JChem tables will need regeneration from IJC 3.x.

You can upgrade from 3.x using the update center, but if you are on Windows and wanting to use OLE copy and paste or the improved EMF export features then you should uninstall and install the new version using the installer as these features will not be provided though autoupdate.

New features and improvements

Full Description
  • Support for tables using text based columns for their primary keys (User guide).
  • Support for project: URLs in URL fields allowing files to be located within the project and distributed to other users within a project zip file (User guide).
  • Introduced binary field type for storing things like images within the database.
  • Improved column manager providing easier ways to show/hide and re-order columns (User guide).
  • Added import of Thomson Reuters Markush DARC (*.vmn) files (single file only).
  • Convertor utility for Thomson Reuters Markush DARC (*.vmn) files allowing multiple files to be easily imported into an IJC Markush table.
  • Added ability to define tautomer duplicate filtering when creating JChem or cartridge tables (User guide)
  • Default property table changed from JCHEMPROPERTIES to JChemProperties to be consistent with jchemmanager.
  • Column names in grid view column header can now span multiple lines to allow easier reading of long field names.
  • Added/improved support for some database column types.

Bugs fixed

  • Various improvements/fixes to printing:
    • Fixed problem with field labels sometimes being missing.
    • Fixed problems printing multiple structures from text fields.
    • Number of decimal places settings is now used when printing.
  • Cartridge improvements:
    • Improvements/fixes for setting duplicate filtering and absolute stereo and standardizer settings.
    • Fixed problem with query structures over 4000 characters long when querying a varchar2 column.
  • User defined structure format now used for editing and inserting structures.
  • Fixed problem with scrolling in grid view when horizontal scrolling was sometimes reset to the left.
  • URL fields encode the URL correctly to avoid problems with "funny" characters.
  • Validation of column names improved: correct max column name lengths now used and columns that already exist in DB are not validated as they must be valid.
  • Fixed problem with very long popup menus overflowing screen size.

Known issues

  • Hit alignment for Markush structures can be slow, resulting in slow scrolling in grid view after running a query. Workaround is to turn off hit alignment.
  • Data is not refreshed when a chemical terms expression is updated for a chemical terms field. Workaround is to use 'Data->Reload data' to force a refresh.

3.X Releases

October 23 2009: 3.0.4

Minor bug fix release.

Marvin/JChem 5.2.6 are used. JChem tables will not be regenerated from earlier IJC 3.0.x versions.

Bugs fixed

  • New documentation page describing relationship between the different IJC artifacts
  • Wrong schema icon in import into remote database
  • A few dialogs layout and user interface problems fixed mainly on Mac (connect to schema, table widget, progress dialog, add edge in datatree dialog, entity properties dialog in import)
  • Error when autoscale is turned off in Browser widget
  • Browser widget sometimes failed to display data
  • Some distinct values, empty structures and absolute stereo settings were not always applied when new jchem entity was created
  • Fixed problem applying standardizer to cartridge tables
  • Error when adding new row to a child table in a many-to-one relationship
  • Some issues with menu actions to open windows fixed.
  • Fixed problems with database explorer functionality
  • Some documentation improvements: a few screenshots updated in user documentation, cartridge admin page improved, and other minor fixes
  • Less logging into IJC log file, some formatting improved
  • Partial fix for Oracle databases when column default value is set to special values like SYSDATE
  • Fields in promote table dialog are sortable now
  • Error when disconnecting from schema after IJC startup
  • Sample project updated to remove one unused table

October 14 2009: 3.0.3 updated

The 3.0.3 update center has been re-released as something was missing from the origanal. If you had already updated the update will happen again. This does not affect the Java Web Start version.

October 12 2009: 3.0.3

Bug fix release with important bug fix. All users should update.

Marvin/JChem 5.2.5 are used. JChem tables will not be regenerated from earlier IJC 3.0.x versions.

Bugs fixed

  • Fixed problem with IJC crash after enabling standardization and displaying Molecule widget (Forum topic)
  • Improved support for some column types fixing problems executing queries and creating fields.

October 5 2009: 3.0.2

Bug fix release with important bug fixes. All users should update.

Marvin/JChem 5.2.5 are used. JChem tables will not be regenerated from earlier IJC 3.0 versions.

Bugs fixed

October 1 2009: 3.0.1

Minor bug fix release.

Marvin/JChem 5.2.5 are used. JChem tables will not be regenerated from earlier IJC 3.0.0 version.

Bugs fixed

  • Browser pane widget errors on click to hyperlinks
  • Browser pane widget errors when autoscale is turned off
  • Errors when running permanent queries
  • Potential freezing IJC on startup when shared projects was opened in previous session

September 28 2009: 3.0

Feature release

Marvin/JChem 5.2.5 are used. JChem tables should not need regenerating from version 2.5.3.

Derby database is updated to version 10.5.1.1. Local databases opened in IJC 3.0 can no longer be opened in older versions. If you want to test your local databases then make a copy of your project before you open it with IJC 3.0.

New features and improvements

Full Description
  • New field type for data external to IJC defined using a URL. The URL defines the location of documents that can be text, html, images, PDF, MS Office documents etc. URL can be statically or dynamically defined. (User guide).
  • New widget for displaying images and html content. Primarily for use in conjunction with URL fields (User guide).
  • Much enhanced schema editor (User guide):
    • Data tree editor moved into schema editor.
    • Contents of explorer split into separate tabs to make navigation easier.
    • Made layout and names more consistent and more logical.
    • Provided more right-click options and toolbar actions.
    • Promote entity wizard now provides ability to promote fields, making promotion process much faster and easier.
  • Improved icons and graphics used throughout.
  • Added support for database views for non-structural data (User guide).
  • Controlling editability (User guide):
    • Added ability to restrict editing of values in an entity.
    • Added ability to restrict inserting new rows in an entity.
    • Added ability to restrict deleting rows in an entity.
    • Added ability to restrict editing of values in a field.
  • Add ability to define a SQL filter that acts as a row level filter on database tables (e.g. control access to compounds that are assigned to the project the user belongs to). (User guide).
  • Improved printing (User guide):
    • Automatic scaling of forms to the paper size when form is too big.
    • Added support for n-up printing (printing multiple form records to a single page).
  • Improved structure renderer (User guide):
    • Added ability to use structure renderer for text columns containing structures (e.g. as smiles).
    • Added ability to display multiple structures as a matrix view (e.g. multiple smiles strings, each on a separate line).
  • Added support for reaction based enumeration using ChemAxon Reactor. Provides a simple way to perform reaction based enumeration in an IJC database (User guide).
  • Added additional similarity search metrics such as Tversky, Dice, Euclidian (User guide).
  • Provided warning when multiple users try to use local database at the same time.

Bugs fixed

  • Fixed error during printing
  • Fixed problem with printing relational data form
  • Fixed problem with display of Markush structures containing homology groups
  • Fixed problem with hit alignment and enumeration of aromatic Markush structures
  • Fixed problem merging data into JChem tables using Oracle cartridge index
  • Improved validation of values integer and decimal fields
  • Improved validation of values in "Between" queries
  • Fixed problem with being unable to import into an existing table with only read-only access rights.
  • Added support for wider range of data and time column types
  • Added support for wider range of numeric column types
  • Allowed merge of files that contain null values for the merge key (Forum topic)
  • Prevented merge of files using fields that do not support the equals operator as this was not correct and caused errors (Forum topic)
  • Fixed problem with using lower case table names in MySQL on Linux (table names are case sensitive).
  • Fixed various bugs that caused printing to fail. e.g. (Forum topic)
  • Fixed configuration of JDBC drivers in database explorer.

August 19 2009: 2.5.3

Minor bug fix release.

Marvin/JChem 5.2.4 are used. JChem tables will not be regenerated from earlier IJC 2.5.x versions.

Bugs fixed

  • Improved warning when project is located on shared disk and opened by more than one user at the same time
  • Fixed error during promote FK to relationship
  • Proxy server settings warning improved
  • New row dialog has combo box chooser for discrete values fields
  • Fixed potential error when promoting JChem table based on Oracle Cartridge

July 12 2009: 2.5.2

Minor bug fix release.

Marvin/JChem 5.2.3 are used. JChem tables will not be regenerated from earlier IJC 2.5.x versions.

Bugs fixed

  • Local DB (Derby) now supports creation of DECIMAL columns
  • Fixed problem with web proxy detection - sometimes appeared even when network was connected correctly
  • Fixed problem with wrong sorting of rows in detail tables after new search
  • Fixed problem with installation of Academic license
  • Added missing column types for MySQL: BIGINT was not recognised as valid column type for ID field. Some BLOB and BINARY columns not recognised
  • Fixed problems with Structure column/widget's colour scheme property (Forum topic)
  • InChI import/export supported on 64 bit linux

June 26 2009: 2.5.1.1

Hot fix update for IJC 2.5.1

  • Fixed problem with module versions which prevented table regeneration working correctly.
  • Added support for additional MySQL column types

May 29 2009: 2.5.1

Minor bug fix release.

Marvin/JChem 5.2.2 are used. JChem tables will not be regenerated from earlier IJC 2.5.x versions.

Bugs fixed

  • Some actions were not enabled in the project explorer context menu.
  • Fixed problem with list renderer when values were null.
  • Fixed problem when clicking outside widget in form did not cause widget to leave edit mode.

May 14 2009: 2.5

Major version release. This is a rollup of all the previous fixes and improvements since IJC 2.4 and includes a new installer to fix installer related problems on Windows Vista. This version is only available as a new installer or as the Java Web Start version. It is not available using autoupdate.

Marvin/JChem 5.2.1.1 are used. Some JChem tables will be regenerated.

New features and improvements

  • Added ability to copy a view (form or grid view) from one data tree to another. See here for details (Forum topic).
  • Query builder and Query as text windows are not shown by default. If you want to use these you can show them using the appropriate items in the Window menu.
  • Improved tooltips for form and grid view in query mode.

Bugs fixed

  • Fixed problems with installer under Windows Vista which resulted in updates not being applied correctly.
  • Fixed problem with querying dates on some databases (Forum topic).
  • Fixed problem with database connection being randomly closed (Forum topic).
  • Fixed problems relating to accessing files on Windows using UNCs (Forum topic).
  • Fixed problem when column renderer in table could become null when value for multiple columns was set.
  • Fixed problem with chemical terms columns not being deleted from the database.
  • Fixed memory leak that could cause IJC to die when schema editor was used extensively.
  • MaxPermGen memory size increased to 120m to avoid potential out of memory errors. If running on 64 bit Java then this setting may need to be be increased further. Edit the etc/instantjchem.conf file to do this.

March 19 2009: 2.4.3.1

Minor bug fix release

Marvin/JChem 5.2 are used. JChem tables will not be regenerated from IJC 2.4.3.

Bugs fixed

  • Fixed problem deleting last column in grid view on Linux when using Java 1.6 (Forum topic).
  • Fixed bug preventing promotion of foreign key to relationship in some cases.
  • Location of promote foreign key button changed to be consistent with other promote buttons
  • Fixed problem the setting dates with new row dialog with certain locales (Forum topic).
  • Fixed problem with chemical terms expressions that use structure search not being enabled (Forum topic).

March 12 2009: 2.4.3

This is primarily a bug fix release

Marvin/JChem 5.2 are used. JChem tables will be regenerated.

Bugs fixed

  • Fixed error preventing printing (Forum topic).
  • Fixed problems with hit alignment sometimes failing with Markush table types.
  • Improvements to showing license errors during query execution.
  • Fix for problem when chem terms values were recalculated even if chem terms expression was not altered.

New features and improvements

  • Added display option for showing/hiding R/S labels on atoms for structures (Forum topic).
  • Structure search names changed to be consistent with the new names used in JChem (see JChem documentation).
  • Added security configuration template for Microsoft Active Directory.
  • New chemical terms editor from JChem 5.2 is used

February 18 2009: 2.4.2

This is primarily a bug fix release

Marvin/JChem 5.1.5 are used. JChem tables will not be regenerated from IJC 2.4.

Bugs fixed

  • Fixed problems with converting field type not copying values correctly.
  • Improvements in handling NUMBER columns in Oracle:
    • Fixed problem creating number column with a non-zero scale component.
    • Number columns can be promoted to decimal number fields.
  • Fixed problems with validation of query values (e.g. for Between operator).
  • Fixed problem with hit alignment of Markush structures caused by 2.4.1 upgrade (Forum topic).
  • Fixed problem with temporary lists and queries not being created unless query builder was showing.
  • Fixed problem with structures not being correctly coloured when a chemical terms only search had been run.
  • Provide warning when proxy server settings may need attention.
  • Structure editor opens wider when editing reactions.
  • Fixed random exception that sometimes prevented a project being opened.
  • Improvements in display of some dialogs on Mac.
  • Fixed some problems with using date editor in query mode.
  • Improved promote foreign key function to allow creation of many-to-one relationship.
  • Fixed problems running using latest Java versions (e.g. 1.6.0_12).
  • Added "rdf" to available file extensions during export.

December 22 2008: 2.4.1

This is primarily a bug fix release

Marvin/JChem 5.1.4 are used. JChem tables will not be regenerated from IJC 2.4.

Bugs fixed

  • Fixed problem restoring lists of more than 1000 IDs on Oracle.
  • Fixed problem writing errors file during import when location was specified using a UNC (Forum topic).
  • Fixed error that occurred when column size was edited when creating a field.
  • Fixed problems exporting data from entities in the schema editor (Forum topic).
  • Fixed problem with converting structures to 2D in import not working (Forum topic).
  • Introduced a maximum number of deleted rows before undo operation is disabled (too high a value caused excessive memory consumption due to the need to support undo). Limit is 1000.
  • Added missing project related actions to File menu and projects window context menu.
  • Fixed problem with search by selected value opening structure editor.
  • Fixed problem with Command key on Mac switching table cell to edit mode
  • Added missing support for CHAR columns on Oracle
  • JWS clears out old IJC installation files before updating to new ones.
  • Fixed problem with Markush tables when Markush license has been removed or become invalid.

November 21 2008: 2.4

Feature release. This release is almost entirely focused on usability issues based on user feedback.

Marvin/JChem 5.1.3 are used. JChem tables will be regenerated.

New features and improvements

  • Support for JChem cartridge on Oracle.
    • Create JChemBase table with cartridge index on cd_structure column.
    • Create standard table with cartridge index on column with structures.
    • Promote existing cartridge tables in the database into IJC.
    • Support for different table types, standardizer and chemical terms columns.
  • File import.
    • Support for import of chemical names using Name2Structure calculator plugin
    • Better determination of whether text files contain structures
    • Better determination of JChem table type based on the types of structures found (Forum topic).
    • Better determination of data field type where empty values were encountered.
    • Changed name normalisation so that fields are always recognised if the file (or similar file) is re-imported into the same entity.
    • File import action made less sensitive to context to avoid the risk of importing data into an existing entity by mistake. If wanting to import into an existing entity this must be explicitly specified using the r-click action on the node in the project explorer. Otherwise file is always imported into a new entity.
    • Parsing for field detection can be cancelled.
    • Import into existing entity now possible without ROLE_EDIT_SCHEMA rights (new fields cannot be created).
  • File export.
    • Added support for export in smarts format.
    • Added support for exporting relational data to flat file formats (SDF, Excel...).
  • Printing.
    • Improved print quality using Jasper Reports print engine.
    • Print preview
    • Allow footers and headers to be specified.
    • Print to PDF.
  • Grid view
    • Discontinuous selection intervals now possible.
    • Added ability to auto-estimate the best column widths to use.
    • Added popup menu to row header to allow adding and deleting rows.
    • Design mode display is now more consistent with browse mode settings.
    • Multi-line text display improved.
  • Form view
    • Added warnings when innapropriate widgets were used and would result in not all data being displayed.
    • Widget right-click menu options improved.
    • Added horizontal alignment to widget display options.
    • Added ability to horizontally align multiple widgets.
    • Widgets can be selected using Tab key.
  • Query
    • Better support for 'between' queries for dates.
    • Date picker tool added to query builder.
    • Added progress dialog during data retrieval so that you don't have to wait for all IDs to load for very large tables.
    • Query as text window shows structures as (cx)smiles or (cx)smarts as is most appropriate for the search type (Forum topic).
  • List and Query management
    • Added ability to add/remove a list to/from the current result set (Forum topic).
    • Added data tree selector to Lists & queries window to make it easier to see lists and queries from other data trees.
    • Added ability to create new list and define the contents for this list.
  • Project explorer.
    • Created 'single project mode' where a simplified representation of the projects tree is displayed when only a single project is open.
    • Added default option to close current project when opening a new one so that you stay in single project mode.
    • Added option to 'autoconnect' to a schema when IJC is opened.
    • Added ability to clean up all unused related artifacts when a data tree is deleted.
  • Simple Federated Search (SFS).
    • Moved SFS window to main window and improved layout.
    • SFS window can be specified as start page.
    • Added ability to collate all SFS results into a new data set.
  • UI/Usability.
    • Added option to define a default start page. Specified page can be Welcome screen, Simple Federated search or any view (form or grid view). Option to open this start page maximised.
    • Added 'Remember this decision' option in many places.
    • Added keyboard shortcuts for switching mode in form and grid view (Ctrl-1, Ctrl-2, Ctrl-3).
    • Warnings added on startup when licenses have expired or are about to expire.
    • Convert type can now be used to create a copy a field of the same type.
    • Improved performance when using Copy & Paste for large numbers of cells (Forum topic).
    • Added more data flavours when copying single structures from grid and form view so that they paste better.
  • Other.
    • Default maximum memory (heap size) increased to 300MB

Bugs fixed

Many bugs have been fixed, including:

  • Removed problems related to project contents using absolute file paths.
  • Fixed problems with temporary list and queries not being created if data from the data tree had not yet been opened.
  • Improved hit alignment performance for Markush structures.
  • Fixed problems during file import with empty values causing the automatic detection of the best field type to fail.
  • Fixed problem with slow scrolling in grid view when 2D structures needed to be generated.
  • Fixed some problems inserting and deleting rows in detail tables for relational data.
  • Fixed problem with adding detail table when master table contained data.
  • Fixed problem using a file url for shared projects (Forum topic).
  • Fixed problem deploying license file when chemaxon dir did not exist (Forum topic).

June 16 2008: 2.3.1

This is primarily a bug fix release

Marvin/JChem 5.0.3 are used. This is unchanged from 2.3

New features and improvements

  • Overlap analysis: The outputted field can be specified.
  • Overlap analysis: Option added to turn off writing hits to console during (Forum topic).
  • Added action to main toolbar to reset windows (this was present in Windows menu too).
  • Chemical Terms: Hint about code assist feature added to chemical terms editor
  • IJC URLs: Generate URL dialog now only allows creation of URLs for shared databases in shared projects.

Bugs fixed

  • Fixed problem exporting to Excel where sheet name contained illegal characters or was too long
  • Fixed problem with empty strings not being accepted as values for float fields (they are converted to null).
  • Fixed problem with copying multi-line text in grid view (Forum topic).
  • When switching to query mode first used field gets focus.
  • Corrected wrong license file location property in JNLP file. It should be chemaxon.license.url not ijc.license.url.
  • License manager window now has Close button, not OK/Cancel.
  • Fixed problem with hit highlighting when structure was in detail entity and displayed using structure widget.
  • Query actions sometimes became disabled.
  • Apply list and query actions sometimes became disabled.
  • Chemical terms expression is validated during federated search.
  • Fixed problems with data in grid view sometimes not displaying when scrolling.
  • Fixed rare exception when hiding columns in grid view.
  • Fixed problem with boolean columns in grid view sometimes becoming not editable.
  • Changed misleading warning message when no standardizer license is present.
  • Fixed problem with progress going immediately to 100% during import of text files.
  • Fixed problem cancelling chemical terms queries.
  • Fixed problems renaming lists and queries.
  • Fixed exception that occurred when with searches with Ignore operator (Forum topic).
  • Fixed rare exception when editing values and typing too fast!
  • Fixed problem when editing values where change was made in DB but old value was sometimes still displayed.
  • Direct editing of values in fields that are used in relationships is disabled.
  • Correct JChem table type selected after parsing completes during import.
  • Fixed problem with branding index page for Java Web Start version.
  • Deleting project now deletes the files properly.
  • Excluded null as an option when editing boolean fields which require a value
  • Fixed potential problem with query when wrong results could be returned
  • Fixed exception that occurred when in query builder when deleting elements
  • Fixed exception that occurred when typing in URL when opening shared project

April 25 2008: 2.3

Feature release

Marvin/JChem 5.0.3 are used. JChem tables will be regenerated.

New features and improvements

  • Marvin/JChem 5 related features
    • Marvin User interfaces are updated.
    • New license system is used. Request updated license file if you do not already have one.
    • Code assist for chemical terms expressions.
    • Query and Markush JChem table types are supported
    • Markush enumeration added.
    • Structure file import now uses Marvin record parsing interface.
    • Hit highlighting now uses JChem chemaxon.util.HitDisplayTool class.
    • Hit alignment enabled for superstructure searches.
    • JChem search options now uses chemaxon.sss.search.JChemSearchOptions class.
    • Mol Formula field is sorted using the new cd_sortable_formula column.
  • New features
    • Shared project deployment.
    • License file can be centrally deployed.
    • IJC URLs allow you to send a link that opens IJC and shows the view + list/query.
    • Schema Editor: Promote foreign key to relationship.
    • Form builder: WBLabel widget allowing static text to be put an a form.
  • Other improvements
    • Additional standardizer templates provided.
    • Query as text window indicates whether current query has been executed.
    • Overlap analysis writes matching IDs to the report.
    • Changed the order for chemical terms favourites. The new order is: FLOAT, TEXT, INT, BOOLEAN
    • Oracle driver updated to 11g driver (version 11.1.0.6.0)
    • Derby database version updated to 10.3.2.1
    • Removed dependency on java.awt.Robot class when resizing rows in grid view (Forum topic).
    • Option to not show Welcome screen on startup
    • Column names also checked for name matches during file import (Forum topic).
    • User asked whether to save view when shared view is first modified.
    • Table names restricted to proper tables (synonyms, views etc. not listed).
    • Show/hide R-group definitions property for Marvin renderer.
    • JChem tables are created as InnoDB types on MySQL. InnoDB no longer has to be the default table type.
    • Improved consistency between query builder and form based query

Bugs fixed

  • Remember username/password checkboxes stay sticky when schema is manually disconnected.
  • Better handling of undo queue for MSketchPane
  • Workaround for Oracle returning illegal JDBC column types (Forum topic).
  • Fix for problem for Oracle JDBC metadata where TIMESTAMP columns were being reported as TIMESTAMP(6) (the brackets and size should not be present).
  • Uninitialized views are closed when connection is closed.
  • Fixed problems with setting default fingerprint settings for each JChem table type.
  • Fixed problem with some queries when there were more than 2 levels of hierarchy.
  • Fixed problems with some Marvin popup windows.
  • Fixed problem with progress stopping at 99%

Know issues

Feb 14 2008: 2.2.1

Bug fix release

JChem 3.2.12 and Marvin 4.1.14 are used. This is unchanged from 2.2.0.

  • Boolean field is queryable in form based query
  • Boolean field null state handled better in browse mode
  • Queries for boolean field = false no longer return rows where values are null
  • Date field is queryable in form based query
  • Date formats handled in more consistent format throughout IJC (Forum topic)
  • Improvements to editing date fields
  • Text array fields exported correctly in Excel export
  • Fixed bug preventing new rows being added in multi-user mode (Forum topic)
  • Less confusing error message when setting a duplicate structure
  • Improved formatting of float fields during display and editing
  • List is applied with entries in correct order
  • Printed forms are prettier
  • Improvement to layout of some dialogs on Mac
  • Fixed various memory leaks
  • Fixed problems reordering columns under Java 1.6 (Forum topic)
  • Name in border can be changed for tables in forms (Forum topic)
  • RDF import is more tolerant of bad entries
  • Fixed performance regression in overlap analysis (Forum topic)
  • Fixed potential issue with database connections that were idle for long periods
  • Fixed problem with tab separated format text file import with empty values
  • Fixed problem with query by example not being enabled for fields from detail tables
  • Fixed problem with editing queries following federated search
  • Fixed problems with project groups (Forum topic)
  • Fixed problem with export where all records were sometimes exported, not current result set
  • View toolbar rearranged by relocating some global actions to main toolbar
  • Fixed problem with pasting multiple values causing multiple screen refreshes
  • Fixed problem with windows opened by Marvin Sketch remaining open after sketch closes. These windows are now closed when the sketch closes
  • Fixed problem with queries not being cancellable
  • Fixed potential problem when creating new entity or field fails
  • Fixed problems with export to excel (Forum topic)

Feb 14 2008: 2.2.0.1

Autoupdate upgrade to allow upgrade to 2.2.1

January 10 2008: 2.2

Feature release

JChem 3.2.12 and Marvin 4.1.14 are used. JChem tables will be regenerated.

New features and improvements

  • Query
    • Form based query
    • Added Starts with, Ends with and Contains operators for text fields
    • Query panel re-worked to simplify query builder and make it work in conjunction with form based query
    • Structure can be directly pasted into empty structure query widget
    • Added federated search feature allowing structure searches to be run across multiple data trees
  • Security
    • Support for authentication using LDAP
    • Added ability to ROLE_ADMIN to log out a user (Forum topic)
    • Users can be added/deleted/modified from multi-user mode
  • File export
    • Option to generate missing coordinates during SDF, MRV... export
    • Export to Excel format (structures included as images)
  • Standard import
    • Records with errors are written to a file
    • Duplicate records are written to a file
  • RDF import
    • Improved auto-determination of field types and sizes
    • Mechanism added to prevent naming conflicts
    • Records with errors are written to a file
  • Java Web Start
  • Startup performance improved during reading of information from DatabaseMetaData
  • Form printing
  • Views (form and grid view), queries and lists are directly sharable, allowing all users to see a standard set of forms
  • Description attribute added for things like entity, data tree etc.
  • General improvements to relational data management
  • Added ability to refresh data (e.g. if a different user has edited values)

Bugs fixed

  • Fixed problem with Integer values specified using scientific notation being handled as decimal numbers
  • Unrestricted searched permitted in remote databases
  • Clean2D done before passing structure to Marvin for display in form or grid view (forum topic)
  • Fixed some problems in relationship creation
  • Fixed problems with copy & paste and export of Text Array fields
  • Fixed problem dropping IJC tables from database
  • Fixed problem recognising some boolean chemical terms functions
  • Fixed error preventing clearing data in grid view
  • Many-to-many relationships now prevent duplicate values in join table
  • Fixed problem clearing molecules (forum topic)
  • Fixed problems with reported statistics during import (forum topic)

Know issues

  • Form printing limited to single record at a time
  • Printed forms are not very beautiful
  • Progress finishes at 99% (bug in NetBeans library)
  • Boolean and Date fields are not queryable in form based query
  • Error message when setting a duplicate structure is misleading
  • Some UI elements don't look nice on Mac OSX

October 23 2007: 2.1.1

Bug fix release

JChem 3.2.11 and Marvin 4.1.13 are used. This is unchanged from 2.1

October 2 2007: 2.1

Feature release

JChem 3.2.11 and Marvin 4.1.13 are used. JChem tables will be regenerated.

New features

  • Query management feature added
  • List management feature added
  • Query by example feature added
  • Queries can be restricted to a particular list (search domain)
  • Goto row feature added in grid and form views
  • Option to encrypt database connection details
  • Import and export of InChI format structures
  • Added additional Marvin display options for structures
  • Added option to strip quotes from data during import of text files
  • IJC can now run using Java 1.6.
  • Windows and Linux installers use Java 1.6

Bugs fixed

  • Notification icon when updates are available
  • Improvements to wrapping of multi-line text display
  • Removed limit of deleting more than 1000 rows
  • Perfect search options work correctly
  • Fixed problem on Oracle with queries not working when data was sorted
  • Query widget borders now visible on Mac
  • Entity deletion in Oracle now more fault tolerant
  • Fixed problem with Oracle reporting wrong max size for CLOB columns
  • Cursor changes when re-sizing form widgets in design mode
  • Missing show user list action restored
  • Fixed problems with windows opened by Marvin Sketch e.g. calculator plugin windows

August 27 2007: 2.0.2

Bug fix release

JChem 3.2.10 and Marvin 4.1.12 are used. This is unchanged from 2.0.1.

  • Promote table bug fixed

August 27 2007: 2.0.1

Bug fix release

JChem 3.2.10 and Marvin 4.1.12 are used. JChem tables will be regenerated.

  • Fix bugs preventing multi user access with read-only access.
  • Fixed wrong expression for TPSA chemical terms favourite.
  • Fix for query panel occasionally throwing exception when query being reinstated.
  • Fixed problem with parser properties not being displayed during import.
  • IJC will run on Java 1.6.
  • Fixed problem with wrong number of records being reported during import.
  • Fixed problem with exporting string array fields

August 7 2007: 2.0

Public release

Patched version of JChem 3.2.9 and Marvin 4.1.11 are used

  • Fixed problems with nbm files on update center not being recognised as signed by ChemAxon certificate.
  • Changes to Welcome screen
  • Fixed problem with failures with Chemical terms calculations in Derby database
  • New Chemical terms favourite for Lipinski variant

July 26 2007: 2.0 Beta 8

Private beta release

JChem 3.2.9 and patched version of Marvin 4.1.11 are used. JChem tables will need regenerating.

  • Improvements to relational data handling:
    • Row insert and delete for many-to-many relationships
    • Add a simplified process for creating a detail entity
    • Improved enabling the add and delete row actions depending on context
    • Fixes to relationship creation and display
    • Fixes to data retrieval for many-to-many relationships when fields are not the ID fields
  • Fixed problems with unique index creation
  • Improved ability to execute some complex advanced queries
    • Structure queries can be part of an OR expression
    • Multiple structure queries can be specified
  • Improved descriptions and messages when clearing data in grid view
  • Fixed problems with focus handling making editing form contents difficult
  • Fixed problems with large structures in Oracle JChem tables
  • Minor import and merge improvements
  • Fixed problem in query when Marvin Sketch was close with More window open
  • Fixed problem pasting multi-line text
  • Fixed problem on Windows with options not being able to find the instantjchem.conf file
  • Updated user guides
  • Updated developer guides

July 4 2007: 2.0 Beta 7 release

Public beta release

  • JChem 3.2.7 and patched version of Marvin 4.1.9 are used. JChem tables will need regenerating.
  • Various form builder usability improvements.
  • Chemical terms favourites can be edited
  • More complete version info now present in About box
  • NetBeans platform updated to 6.0. Major changes include:
    • Autoupdate UI changed (now Tools -> Plugins)
    • User settings editor improved
  • Query:
    • Query UI and implementation re-written
    • Hit alignment bugs fixed
    • Return non-hits for structure query
    • Standard and Advanced query modes
    • Relational query now possible
    • AND and OR queries now possible
  • Schema Editor enhancements:
    • Index management
    • Improved handling of Relationships
    • Promote standard table now works
    • Sequence definition for standard Oracle tables
  • Minor improvements to RDF import
  • Various UI and usability improvements
  • Better support for dates
  • Better support for list fields
  • Improvements to multi-threaded database connections
  • Improvements to Undo/Redo support
  • Extensibility improvements:
    • Improvements to APIs and SPIs
    • API code examples
    • Developer tutorials

Known bugs

  • Not all advanced queries that can be built will execute:
    • Only one structure query can be specified as part of AND element
  • Marvin Sketch panel does not appear correctly in standardizer editor when used for defining standardizer for a JChem table
  • Marvin Sketch and Standardizer editors are slow to load
  • Problems are seen with modal Marvin calculator plugin windows on some platforms
  • Some aspects of many-to-many relationships are not yet working

June 4 2007: 2.0 Milestone 3g release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used (this is unchanged from M3a).
  • Fixed problem with data retrieval with Relationships where the field was not the primary key column.

May 24 2007: 2.0 Milestone 3f release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used (this is unchanged from M3a).
  • Better error tolerance and error reporting when initializing IJC schema.
  • Added ignore directive to RDF import template.
  • RDF import continues after error.

May 17 2007: 2.0 Milestone 3e release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used (this is unchanged from M3a).
  • Problem with scrolling "out of range" in a table causing inconsistency between row header and main table fixed.
  • Export to file now works in multi-user mode.
  • Sketcher remembers last drawn structure if it has nothing better to display.
  • Option to reload results when data is imported into existing table.
  • Fixed discrepancy in number of rows reported at end of import.

May 8 2007: 2.0 Milestone 3d release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used (this is unchanged from M3a).
  • Fixed problem with hit highlighting and alignment.
  • Fixed problem with display not always updating after chemical terms calculation.
  • Optimum separator is selected when parsing text file.
  • Improved error reporting during RDF import.
  • Fixed problem when structures without coordinates are opened in sketcher.

April 27 2007: 2.0 Milestone 3c release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used (this is unchanged from M3a)
  • Fixed problem with graph library version when updating from 2.0M2

April 25 2007: 2.0 Milestone 3b release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used (this is unchanged from M3a)
  • RDF import improvements:
    • Empty structures are allowed.
    • Fixed memory leak preventing import of large files.
    • Better handling of Cancel and Finish buttons in wizard.
    • Improved progress notification.
  • Fix for possible problem adding fields in Overlap analysis.

April 17 2007: 2.0 Milestone 3a release

Hot fix update for IJC 2.0M3

  • JChem 3.2.5 and Marvin 4.1.7 are used. JChem table regeneration is required.
  • New features:
    • Copy form from other user.
    • Clone form.
    • Template based import now supports SDF files as well as RDF.
    • IUPAC name added as chemical terms expression favourite.
    • Improved documentation.
  • Bugs fixed:
    • Marvin update fixes infinite loop problem when parsing some files.
    • "Unsupported file format" problem for non-structure files solved.
    • Hit alignment now works in grid view.
    • Improved layout of demo project for Windows.
    • Fixed potential problem with lower case table names.
    • Improved editing of checkbox widget.
  • Known issues and limitations:
    • Many-to-many relationships are not supported.
    • Schema Editor lacks management of indexes.
    • Limited support for editing relational data.
    • Performance needs optimising in some areas.
    • Problems exist with views not updating when data is changed (e.g. during import/merge).
    • Some threading issues when updating and reading data need resolving.
    • Various bugs exist.

April 3 2007: 2.0 Milestone 3 release

Second public preview (alpha) release of IJC 2.0

  • JChem 3.2.4 and Marvin 4.1.6 are used. JChem table regeneration is required.
  • New features:
    • Form builder.
    • Relational data.
    • RDF import prototype.
    • Improved schema editor.
    • Data Tree editor.
    • Improved user documentation.
    • Initial developer documentation.
  • Known issues and limitations:
    • Many-to-many relationships are not supported.
    • Schema Editor lacks management of indexes
    • Limited support for editing relational data.
    • Performance needs optimising in some areas.
    • Various bugs exist.

February 6 2007: 2.0 Milestone 2 release

First public preview (alpha) release of IJC 2.0

  • New features:
    • Multi-user access and security.
    • Many usability improvements, particularly for adding fields (esp. chem terms fields), file import and connecting to databases .
    • General improvements in responsiveness and feedback.
    • Better concurrent access (ability to do multiple things at once).

1.0 Releases

February 1 2007: 1.0.7

  • Redesigned file export to avoid bug on Apple Mac.

January 22 2007: 1.0.6

  • JChem version updated to 3.2.3. This upgrade requires jchem tables to be regenerated which will happen when you first connect to the database. You will be asked to confirm you want the regeneration to proceed. Please backup your data first if it contains important information that you cannot easy re-create.
  • Bugs fixed
    • Fixed problem with display of overlap analysis results.
    • Improved editing of multi-line text fields.
  • Know issues
    • Marvin Space fails to load in IJC on Linux. If you need to use Marvin Space then please contact us via the forum and we will try to provide a fix. This will be solved in a future version.

December 11 2006: 1.0.5

  • Improved support for non-english languages (including non-western languages)
  • Added ability to specify file encoding for file import and export (e.g. for reading files containing Japanese text).
  • Improved validation of file names
  • Minor documentation updates
  • Bugs fixed
    • Fix bug with merging data from text files where header line was present.

November 30 2006: 1.0.4

  • Better performance for chem terms calculations and table regeneration on multi-cpu/core machines.
  • Right-click popup menu in grid view providing view, edit and copy & paste functions.
  • Minor documentation updates
  • Improvements to copy & paste
  • Bugs fixed
    • Fixed possibility of wrong values being updated when data is changed (e.g new query executed, or re-sorted) whilst in the middle of an edit (or undo/redo) operation.
    • Fix to allow deletion of structures where JChem table allows it.
    • Fixes to ensure files are closed and released in various places.

November 17 2006: 1.0.3

  • Bugs fixed
    • Chem terms expression for donor and acceptor counts were transposed.
    • Fixed ArrayIndexOutOfBoundsException exception with Copy & Paste of complete rows.
    • .stndzr extension automatically added when saving a standardizer file if .stndzr or .xml extension not present.

November 16 2006: 1.0.2

  • Bugs fixed
    • Fixed occasional problem with viewing data in grid view (NullPointerException).
    • Fixed alignment problem in Welcome screen when viewed at narrow size.
    • Possible safe fix for un-reproducible bug report in grid view where data was being requested for row that didn't exist.
    • Fixed problem importing of some types of reaction files.
    • Fixed problem with structure file viewer not displaying the correct number of structures
    • Fixed problems with files not being released during import and export

November 7 2006: 1.0.1

  • Changed user dir to ijc_1_0 to prevent possible conflict with pevious updates from Update Center
  • Removed r-click popup from structure editor panel in grid view
  • Bugs fixed
    • Fixed occasional problem with queries not being executed and Show All button not functioning.
    • Fixed problem restoring Chem Terms filter in query panel when no structure is specified
    • Fixed problem with grid view not updating
    • Fixed problem with row count being one too many after import
    • Fixed problem with not being able to close standardizer editor when changes were present

November 3 2006: 1.0

  • Hit alignment now supports link groups
  • Delete row in grid view now prompts for whether to delete row from db.
  • Text values truncated during import when too long for column size.
  • Message presented to user when opening HSQL database.
  • IJC license will be found if located in Marvin licenses.dat file.
  • Improved import performance. 
  • Documentation updates.
  • Query structures displayed without implicit hydrogens.
  • All modules use the same EULA, which refers to 3rd party libraries and licenses.
  • IN LIST queries added for integer and text fields.
  • Bugs fixed
    • UpdateHandler closed immediately following import
    • Cell selection for 2D structures in grid view now works properly
    • Adding row in grid view now scrolls to correct row
    • Disabled sorting of structure fields
    • StandardizeForDisplay now uses default standardization when none is specified.
    • Changing StandardizeForDisplay setting now updates structure display immediately.
    • Workaround for problem with My Documents directory appearing read-only on Windows XP
    • Fixed bug resulting in creation of local database files when using remote database.
    • Fixed bug with missing values in standard import.
    • Fixed bug with default values for non-text fields in standard import.
    • Fixed bug with merging with delineated text files.
    • Fixed bug with updating date fields in some database types.
    • Fixed bug with date editor in grid view
    • Fixed rare startup deadlock when table editor was open and HSQL database had been shutdown incorrectly.
    • Fixed problem setting default values and required status of fields with Derby databases

October 17 2006: 0.8.0

  • Derby in now local database for new projects resulting in improved performance for large data sets
    • Adding fields is much faster
    • Shutdown is much faster
    • Restart after improper shutdown is much faster
  • Added JChem tables types which are present in JChem 3.2
  • Improvements to display of 3D structures in grid view
  • Hit highlighting and alignment for 3D structures
  • Improved usability of editing structures in grid view
  • Explicit hydrogens not displayed in query panel
  • Improved documentation for grid view display settings
  • Improved documentation for query
  • Improved documentation for memory management
  • Added documentation about Derby and HSQL based projects
  • Faster loading of entity editor by lazy loading of standardizer editor
  • Quick import is cancellable
  • CLogP renamed to LogP in Chemical Terms favourites
  • Chemical Terms editor now available in query panel
  • Java memory settings can now be specified using Tools -> Options
  • Bugs fixed
    • Fixed problem importing files greater than 2GB in size.
    • Fixed problem with grid lines not being displayed in grid view on Mac
    • Chem Terms fields excluded from fields displayed in Add Row dialog in grid view
The JChem version used is 3.2

September 20 2006: 0.7.4

  • Chemical terms filters can now be run without a structure query
  • Queries are cancellable
  • Improved management of favourites in Chemical Terms editor
  • Field type/editability indicators removed from grid view column headers
  • 3D structures can be displayed as 2D without converting permanently to 2D
  • Editing structures in grid view now more consistent with editing other data types
  • Improved documentation on license keys
  • Various bugs fixed
The JChem version used is the jchemTEST_2006_08_17 build

 September 12 2006: 0.7.3

  • Added chemical terms filter to query
  • Various bugs fixed
The JChem version used is the jchemTEST_2006_08_17 build

August 1 2006: 0.7.0

  • Welcome screen
  • Quick import wizard
  • Merge data during import
  • Standardizer editor
  • Overlap analysis to compare 2 databases for identical or similar structures
  • Improved structure search options
  • Copy & Paste and Undo in grid view
  • Find function in grid view
  • Improved performance for large data sets
The JChem version used is the jchemTEST_2006_08_17 build

Version 0.6.1

  • Added row height zooming in grid view.
  • Added possibility for horizontal scrolling in grid view.
  • Added ability to delete field directly form grid view.
  • Added chemical terms fields based on JChem chemical terms columns.
  • Added ability to standardize structure files using standardizer files.
  • Native molecule format used in import where possible.
  • Grid view can be printed.
  • Added Exact Fragment structure search mode.
  • Creating entity from existing table now adds fields for all column types that IJC understands.
  • Grid view only asks for data when view is shown.
  • Improved notification on progress during field adding/editing.
  • Better validation during file import.
  • Better error recovery when database cannot be connected etc.
  • Bugs fixed
    • Better validation of field names in file import
    • Improved handling of required status and default values for fields.

Version 0.6.0

  • Structure support module providing basic support for viewing structure files
  • Various UI changes to improve usability
  • Standardizer license detection now works
  • IJC license required for connecting to remote databases
  • Major documentation update
  • Added new project template with sample data
  • Passwords for remote databases not stored
  • Bugs fixed
    • Notification about empty structure files during import
This is a beta release ready for the ChemAxon UGM

May 22 2006: 0.5.5

  • Create entity from existing JChem table
  • Project template with local db
  • Bugs fixed
    • JChem properties table configuration missing when creating connection to a database that already has a properties table.

Version 0.5.4

  • Initial support for MySQL databases
  • Bugs fixed
    • Field name specification in import now works

May 22 2006: 0.5.3

  •  Grid view and results now synchronised with changes in the table editor
  • JChem tables updated when new version of JChem is found
  • jchem.jar updated to latest development build
  • Table editor enhancements
    • Icons for adding fields
    • Standardizer tab now displays warning about needing a standardizer license
  • Grid view enhancements
    • Column header now displays sort info on second line
    • Selected rows now highlight
  • Oracle separated as a separate module to enable licensing
  • Restricted to local database only unless IJC license key is entered (any text will do currently)
  • HSQL local database searches run unrestricted
  • Sort directives now retained when a new query is executed
  • ChemAxon update center URL set to http://www.chemaxon.com/jchem/ijc/updatecenter/updates.xml (update center does not yet exist)
  • Added link to IJC forum in Help menu
  • Improved validation when editing and creating various artifacts
  • Added ability to display structures in standardized form
  • Bugs fixed
    • Fixed some problems in file import wizard
    • Fixed bug when editing structures with duplicate detection turned on
    • Non-standard JChemProperties table names now work OK

May 10 2006:  0.5.2

  • File import enhancements
    • Added create new table from file capability
    • Added RDF format
    • Progress bar shows actual progress
    • Field type can be chosen during import
    • Grid view can be opened after import to display data
  • File export enhancements
    • Added RDF format
    • Fixed problem with exporting MRV format
  • Import and export are global actions in main toolbar and file menu.
  • Reworked project explorer nodes and editors according to discussions in Budapest
    • DataTree now displays the table it represents
    • Grid view opens as default action (double click) on a table node
  • Transparent support for embedded HSQL database
  • Ability to define license keys as options. These are used as defaults when creating new JChemProperties table.
  • Hit highlighting colours configurable as options.
  • Similarity threshold disabled unless similarity search selected. 
  • More context sensitive help in wizards
  • Tooltips in table toolbar
  • JChem table editor uses tabbed view - expert features not displayed unless needed
  • Added settings for ChemAxon update center. Removed NetBeans update centers
  • Initial support for editing and updating standardizer

April 10 2006: 0.5

  • Table settings are persistent.
  • Enhancements to schema editor
    • Most field and column properties are editable, where appropriate
    • Convert field function (e.g text -> integer)
  • Export to file
  • Boolean and date field types
  • Hit alignment and substructure highlighting
  • Improved documentation
  • Improved error handling

March 17 2006: 0.4

  • Major enhancements to the table viewer.
    • Configurable renderer types for all fields
      • Marvin display options
      • Multi-line text fields
      • Alignment, colours,  fonts etc.
    • Configurable row height and column widths.
    • Show/hide columns
    • Cell editing, row addition/deletion
  • Cached result set, allowing all data in large table to be viewed
    • Querying and sorting reworked to use cached result set
      • Sort manager dialog allows multi column sorting
    • Performance excellent for thousands of rows
    • Performance reasonable for 10's of thousands of rows (depending on database speed/location)
  • Application almost completely localized. English only current language.
  • Minor enhancements/bugfixes to schema editor
  • Reworked Getting Started Guide (available from the Help menu)

March 2 2006: 0.3

  • Enhanced schema editor.
    • Element properties are displayed when selected from the explorer.
    • Initial editing of some element properties. More work is needed to make all the properties editable.
  • New project wizard now operational
  • Standard entities are now supported, in addition to JChemBase entities
  • JChemProperties table can now be created when a new schema is created. license keys can be specified.
  • Enhancements to file import
    • CSV and TAB separated files now supported
    • Additional import options available
    • Ability to specify default values
    • Improved user interface
    • Improvements to import performance
  • Improvements to datasource configuration and management
  • Some unnecessary menu and toolbar items have been removed.
  • There are sensible items in the Help menu and the basics of a help system are in place.

February 15 2006: 0.2

  • Clarification/definition of key concepts/terms, and major refactoring to accommodate this.
    • Schema
    • Entity
    • Property Category
    • Field
  • Support for the key IJC use case
    • Creating a new IJC Entity
    • Importing an SD file into it
    • Adding/creating Fields
    • Viewing the data in a table
    • Executing queries on the data.
  • SD file import capabilities
  • Major refactoring of the DataLoader and DataObjects used in the Project Explorer
  • Major refactoring and clean up of the DIF tier
  • Options/settings/L&F made to match those of jcman as far as it possible.
The version of JChem used is 3.1.

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