Hi All,

 

I'll like to share with you the availability of the following new command
line scripts:

 

o RDKitAlignMolecules.py

o RDKitCalculateEnergy.py

o RDKitGenerateConstrainedConformers.py

o RDKitPerformConstrainedMinimization.py

o RDKitRemoveInvalidMolecules.py

 

Please visit www.MayaChemTools.org <http://www.MayaChemTools.org>  for
additional details and to download the package.

 

Your feedback is welcome. 

 

Thanks,

Manish

 

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