[Rdkit-discuss] PostDoc position in my group

2022-08-11 Thread Czodrowski, Prof. Dr. Paul
Dear RDKitters, if I may so, I would like to post something off-topic to this fantastic list. We currently have one vacancy for a (of course, RDKit-heavy!) PostDoc position in my group: https://stellenboerse.uni-mainz.de/HPv3.Jobs/jgu/stellenangebot/25442/PostDoc-m-w-d?lang=en-US Best regards,

Re: [Rdkit-discuss] Using DrawAttachmentLine for bidentate ligands

2022-08-11 Thread Paolo Tosco
Hi Geoff, you can indeed use DrawWavyLine() coupled to some basic 2D geometry as in the example below: from rdkit import Chem from rdkit.Geometry import Point3D, Point2D from rdkit.Chem.Draw import rdDepictor, rdMolDraw2D from IPython.display import SVG mol =

Re: [Rdkit-discuss] Using DrawAttachmentLine for bidentate ligands

2022-08-11 Thread David Cosgrove
Hi Geoff, The drawer has the GetDrawCoords() method. There are 2 overloads, one takes a Point2D, the other an atom index, and both return the coordinates in the drawers reference frame. Assuming you're working in Python. In C++, they're getDrawCoords().