Found the solution: suppl = Chem.SDMolSupplier(infile, removeHs=False) JW
___________________ JW Feng, Ph.D. Denali Therapeutics Inc. 201 Gateway Blvd. South San Francisco, CA 94080 | (650) 270-0628 On Thu, Oct 8, 2015 at 10:30 PM, JW Feng <f...@dnli.com> wrote: > 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 >
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