CCL: New release of MayaChemTools



 Sent to CCL by: "Manish  Sud" [msud===san.rr.com]
 Hi All,
 A new release of MayaChemTools, a growing collection of Perl and Python
 scripts, is now available containing the following command line Python
 scripts based on RDKit:
 o RDKitCalculateMolecularDescriptors.py
 o RDKitCalculateRMSD.py
 o RDKitClusterMolecules.py
 o RDKitCompareMoleculeShapes.py
 o RDKitConvertFileFormat.py
 o RDKitDrawMolecules.py
 o RDKitEnumerateCompoundLibrary.py
 o RDKitEnumerateStereoisomers.py
 o RDKitFilterPAINS.py
 o RDKitGenerateConformers.py
 o RDKitGenerateMolecularFrameworks.py
 o RDKitPerformMinimization.py
 o RDKitPickDiverseMolecules.py
 o RDKitRemoveDuplicateMolecules.py
 o RDKitSearchFunctionalGroups.py
 o RDKitSearchSMARTS.py
 The core set of command line Perl scripts available in MayaChemTools has
 no external dependencies. A variety of enhancements have been made to
 these core scripts.
 The Python scripts based on RDKit rely on its availability in your
 environment. These scripts have been tested using the latest release of
 RDKit available for both Anaconda2 and Anaconda3, and appear to work as
 expected.
 Please visit www.MayaChemTools.org for further details.
 Your feedback is welcome.
 Manish Sud
 msud|a|san.rr.com
 www.MayaChemTools.org