Dear RDKitters,
I am writing a code to generate conformers of a given molecule constraining
some atoms to occupy fixed positions with the coordMap option. However, the
coordMap option does not see to work, as in the conformers generated the
constraint atoms are at very different positions in each
heers,
p.
On 11/14/18 21:37, Jose A. wrote:
Dear RDKitters,
I am writing a code to generate conformers of a given molecule constraining
some atoms to occupy fixed positions with the coordMap option. However, the
coordMap option does not see to work, as in the conformers generated the
constraint
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