On 12/13/2017 11:03 AM, Chicago Ji wrote:
> Dear RDkit Users,
>
> Rdkit would delete all hydrogen atoms when read in a sdf file.
> Since I want to use charge information of all atoms in sdf file, I want
> to keep all hydrogen atoms when readin.
> Is there something like Chem.SmilesParserParams() for sdfsupplier ?
Maybe you want to do this:
---
import rdkit
from rdkit import Chem
[...]
for mol in Chem.SDMolSupplier(sdf_filename, removeHs = False):
[...]
---
Regards,
F.
> Many thanks for your help.
>
> Best,
> Changge
>
>
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