JChem Structure Field

The JChem Structure Field allows you to save chemical structures and displays the structure's image in SharePoint lists. The structures are saved using well known formats (MRV, MOL, SMILES, IUPAC) which are chosen by you; also the structure generated image size, image format and several structure image generation settings are available as custom field settings. The structures can be edited using Marvin applet or Marvin ActiveX OLE Editor (shipped with JChem .Net API) which are integrated in the SharePoint's layout.

 

How to use the JChem Structure field in a SharePoint list

 

Step 1: Select an existing custom list or create a new one.

Step 2: Create a JChem Structure type column with a specified column name:

 

 

Step 3: Select the following additional column settings:

• Require that this column contains information: No
• Add to default view: Selected

 

When adding this field to the list definition, you can specify several specific storage-related or chemical properties. The most significant properties are:

• Molecule Format – available values are MOL, MRV, SMILES and IUPAC; specifies the chemical storage format for molecules

 

Step 4: Select the following structure related properties:

• MRV molecule format
• Wireframe rendering type

 

 

You can keep the default settings of other properties but of course you are allowed to modify them as well.

 

Step 5: Click OK on the Create Column page to add the new column to the list.

Step 6: Add a new item with a specified title to the list:

 

 

The New Item page contains the above specified JChem Structure field and the control used to edit its value (the chemical structures) is the Marvin Applet, which is rendered based on the settings set in the Central Administration settings page for the JChem Service Application.

You can draw a structure by using the Marvin Sketch Applet editor:

 

 

You can change from the default selected structure editor (Marvin Sketch Applet) to the Marvin ActiveX OLE editor:

 

Step 7: Draw a structure by using the structure editor:

 

 

Step 8: Transfer the structure to the New Item page - a confirmation is needed in case of Marvin ActiveX OLE structure editor:

 

 

The structure is displayed in the JChem Structure field of the New Item page:

 

 

Step 9: Save the new item.

The new item with the specified structure displays in the list after saving it:

 

 

When the field is in View Mode, an image is generated and rendered based on another setting of the field (Molecule Image Format).

 

Step 10: You can open an existing item for edition. The structure is displayed on the Edit Item page and you are allowed to modify the structure:

 

 

Step 11: Save the modifications.

The modified structure displays in the list after saving the modification.

 

 

Inline editing

 

The JChem Structure field supports also inline editing, when enabled on a list view.

Step 1: Select Modify View from the list's ribbon.

Step 2: On the Inline Editing section, check Allow inline editing.

Step 3: Click the Edit button of an item. The Marvin Applet is rendered.

Step 4: Change the structure as desired.

Step 5: Click Save. The new structure will be saved in the item.