[Rdkit-devel] Keeping coordinates of explicit hydrogen atoms

[JW F. <fe...@dn...>]

Hi,

I am using "suppl = Chem.SDMolSupplier(infile)" to read a SD file
containing molecules with 3D coordinates for explicit hydrogen atoms. Upon
retrieving a mol from suppl, the explicit hydrogen atoms are suppressed and
3D coordinates were lost. Is there a way to keep explicit hydrogen atoms
and their coordinates when using Chem.SDMolSupplier()?

Thanks,

JW
___________________
JW Feng, Ph.D.
Denali Therapeutics Inc.
201 Gateway Blvd. South San Francisco, CA 94080 | (650) 270-0628