Hi RDKit users:
I have a couple of moleculas that must be load using the sanitize=False
flag. Then do a partial sanitization for make some calculations.
When I use PandaTools.LoadSDF the molecules with the sanitize trouble don't
load so I copy  PandaTools to my working folder and modified  it changing
the sanitize flag to false and add a line who partial sanitize the mol.
I was wondering if there other way to do that. If not I recommend change
the LoadSDF function to a more broad usability.
Best,
Eduardo
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to