Hi,
a similar question has come up recently on the RDKit mailing list:
https://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg08995.html
the GetUFFVdWParams() and GetMMFFVdWParams() functions will return the
vdW parameters for UFF and MMFF94 force fields, respectively. For UFF
th
Dear Greg,
Thank you for your response.
The suggestion f.GetPos(confId=f.GetActiveConformer()) works and the
retrieved feat position matches its actual position in the given conformer
Id.
Thanks for the help,
Omar
On Mon, Jul 8, 2019 at 9:13 AM Greg Landrum wrote:
> Hi Omar,
>
> This is a bug.
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