Re: [Rdkit-discuss] Drawing atom in an undefined position

2020-11-30 Thread Ivan Hohlov
Thanks a lot! пн, 30 нояб. 2020 г. в 11:43, Paolo Tosco : > Hi Ivan, > > The RDKit supports this through the standard SDF V3000 ENDPTS and ATTACH > keywords; see this notebook from Greg for an example: > > > https://github.com/rdkit/UGM_2020/blob/master/Notebooks/Landrum_WhatsNew.ipynb > >

Re: [Rdkit-discuss] Drawing atom in an undefined position

2020-11-30 Thread Paolo Tosco
Hi Ivan, The RDKit supports this through the standard SDF V3000 ENDPTS and ATTACH keywords; see this notebook from Greg for an example: https://github.com/rdkit/UGM_2020/blob/master/Notebooks/Landrum_WhatsNew.ipynb (search for "Position variation bonds" in the notebook) and the Biovia

[Rdkit-discuss] Drawing atom in an undefined position

2020-11-28 Thread Ivan Hohlov
Hello, is it possible to draw an atom with an undefined position in a ring? Like R-groups in attached picture Thanks ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss