Introduction to MarvinSketch
MarvinSketch is an advanced 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.
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 can run on all major operating systems, it is 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 and can also be used to integrate Marvin into Java based applications
- Java Web Start enables web delivery of end user applications
- .NET package makes it available to integrate Marvin into .NET applications