If I can start a list of wishes for new function it will be nice to add a
possibility for drawing the series of molecules with the same core
in the same orientation (based on some alignment or something like that).
pozdrawiam
Adrian
2014-07-02 14:04 GMT+02:00 Greg Landrum
Hello,
Adrian: This is already possibile using
http://www.rdkit.org/docs/api/rdkit.Chem.AllChem-module.html#GenerateDepictionMatching2DStructure
Note that scaffold needs pregenerated 2d coordinates.
Also, it's available in python pandas (
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