Hi RDkit users,

I encounter following sanitize issue while I was trying to load an SD file
using
Chem.SDMolSupplier('lig.sdf')

Explicit valence for atom # 16 N, 4, is greater than permitted
ERROR: Could not sanitize molecule ending on line 3145

The molecule RDkit complains about has a charged N atom.
How do I sanitize it to fix these errors without losing its charge and 3D
coordinates?
Or how to disregard all these errors and get all the molecules read with
nothing missing?

Thanks,
Sundar
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to