MCDL (Modular Chemical Descriptor Language) is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. The editor supports the MCDL format, in which structures are presented in compact canonical form and is capable of restoring bond orders as well as of managing atom and bond drawing overlap. A small database of cage and large cyclic fragment is used for optimal representation of difficult-to-draw molecules. The improved algorithm of the structure diagram generation can be used for other chemical notations that lack atomic coordinates (SMILES, InChI).
Sergei Trepalin (Institute of Physiologically Active Compounds RAS)
- Windows / Linux / Mac OsX
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Molecules 2006, 11(4), 219-231; doi:10.3390/11040219
A Java Chemical Structure Editor Supporting the Modular Chemical Descriptor Language (MCDL)
Sergei V. Trepalin, Alexander V. Yarkov , Igor V. Pletnev and Andrei A. Gakh