Thanks a lot! пн, 30 нояб. 2020 г. в 11:43, Paolo Tosco <[email protected]>:
> 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 documentation here for reference: > > > http://help.accelrysonline.com/ulm/onelab/1.0/content/ulm_pdfs/direct/reference/ctfileformats2016.pdf > > Cheers, > p. > > > On Sat, Nov 28, 2020 at 8:16 PM Ivan Hohlov <[email protected]> wrote: > >> 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 >> [email protected] >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >
_______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
