Thank you for the fast reply, Greg and Yang, GetDrawCoords seem to be exactly
what I need to proceed. I'll get the bleeding edge version or try and patch the
code :-)
Esben Jannik Bjerrum
cand.pharm, Ph.D
/Sent from my Ubuntu Touch Phone
Phone +45 2823 8009
is it possible to open these APIs
officially ?
Hongbin Yang
From: Esben Jannik Bjerrum via Rdkit-discussDate: 2017-06-21 22:38To:
rdkit-discuss@lists.sourceforge.netSubject: [Rdkit-discuss] Reverse scale of
svg coordinates to atom coordinates
Hi RDkitters,
I'm experimenting a bit with an applic
Hi Esben,
The call you are looking for is drawer.GetDrawCoords(atomIdx). This was,
unfortunately, missing from the last release. It will be in the next one:
In [14]: mol = Chem.MolFromSmiles('CC')
...: mc = rdMolDraw2D.PrepareMolForDrawing(mol)
...: drawer =
Hi RDkitters, I'm experimenting a bit with an application with some user
interactivity. I get the SVG coordinates from the Mol SVG drawing from the user
interaction and need to get back to the atom coordinates with the goal of
identifying the atom nearest the selected coordinates (or is there
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