Hi All,
I'll like to share with you the availability of the following new command
line scripts, being distributed as part of MayaChemTools package:
o RDKitCalculatePartialCharges.py
o RDKitDrawMoleculesAndDataTable.py
o RDKitPerformRGroupDecomposition.py
o RDKitRemoveSalts.py
In addition, RDKitDrawMolecules.py script now supports generation of a HTML
file containing in line SVG drawing of molecules in a table. A handful of
changes have been made to other scripts to improve performance.
Please visit www.MayaChemTools.org <http://www.MayaChemTools.org> for
additional details and to download the package.
Your feedback is welcome.
Manish Sud
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