Dear Andrew:
Thank you very much for your input.
I was able to refine and correct my approach with your suggestions.
Cheers,
Markus
On Wed, Feb 8, 2017 at 12:23 PM, Andrew Dalke
wrote:
> On Feb 8, 2017, at 19:22, Markus Metz wrote:
> > The
On Feb 8, 2017, at 19:22, Markus Metz wrote:
> The question to you is: Is there another more elegant way of doing it? May be
> I missed something from the python API?
I don't quite follow what you are looking for, though I have managed to
condense your code somewhat, into:
Dear RDKit community:
I am facing the situation that I would like to attach indices to atoms in a
molecule defined by a substructure. The substitution pattern is of
importance. Therefore I needed to include the wildcards atoms in my
substructure. If I get the atom indices of this substructure,
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