Marvin, Calculator Plugin and Chemical Terms Demo

MarvinSketch is an advanced, Java based chemical editor for drawing chemical structures, queries and reactions. It has a rich (and growing) list of editing features, is chemically aware and is able to call ChemAxon's structure based calculation plugins for structures on the canvas.

This is an implementation of Marvin, you can create new structures or open structure files and then visualise or perform calculations.

Various structure based calculations are available from the "Tools" menu using the Calculator Plugins. Notice that for some calculation results MarvinSpace can be used and this will require Open GL to be installed on your computer. If this does not load automatically please visit MarvinSpace Troubleshooting

Chemical Terms expression:

The Chemical Terms Evaluator is designed to evaluate mathematical expressions on molecules using built-in chemical and general purpose functions. It is equipped with chemical plugin calculations, chemical substructure search and some additional chemical and general purpose functions.

Marvin features

Rich editing:
  • wide range of file types supported: MOL, MOL2, SDF, RXN, RDF (V2000/V3000), SMILES, SMARTS/SMIRKS (recursive), MRV, InChi, CML, PDB etc
  • Copy and paste between different editors
  • Abbreviated groups
  • Pre-loaded structure templates and "My Templates"
  • 3D editing
  • 3D geometry and conformer generation
  • 2D cleaning and conformer generation
  • Advanced query features (generic atoms and bonds, atom lists/not lists, query properties, pseudo atoms, multiple groups, Link nodes, etc)
  • Creating and editing molecule sets (without a database)
  • Multipage documents and printing support
  • Drawing and formatting shapes, arrows and text boxes
  • Structure annotation
  • User definable customisable styles (colours, structure representations, etc)
Chemically aware
  • Structure based calculations can be called directly from MarvinSketch. For a complete listing of functions please see the Calculator Plugins section
  • Error checking (valence and reaction error checking)
  • Structure query design (R-logic, SMARTS properties, etc)
  • Isotopes, charges radicals, lone pairs and aliases are supported
  • Manual and automapping for reaction drawing
  • Advanced stereochemistry functions (E/Z double bonds, R/S chirality, ABS/OR/AND enhanced stereo, etc)
Cross platorm delivery
  • Marvin is Java based and so can run on all major operating systems, ChemAxon make Marvin available in the following distributions:
    • Java Applets can easily be implemented into Java enabled web pages without the need for the user to install software or plugins
    • Java Beans can be directly installed to give standalone desktop applications
    • Java Web Start enables web delivery of end user applications
  • .NET support

Do you have a question? Would you like to learn more?

Please browse among the related topics on our support forum or search the website. If you want to suggest modifications or improvements to our documentation email our support directly!