Dear RDKit Community,
I have a quick question regarding a possibility of setting valence of an atom
in rdkit.
Let's say that I have a molecule like this (smiles notation): PPC or SSC and I
would like to change the valence of one or more S or P atoms from default II
for S or III for P to let's say SIV or SVI and PV. As a result I would like to
have the following molecules (as an example): [H][SH3](C)[SH5], [H][SH2]SC,
[H][SH3](C)[SH3] or [H][PH3]PC, [H][PH3][PH3]C
Is it possible to output such molecules using SSC or PPC molecules as inputs,
using one of rdkit methods (modules)?
Thank you very much for your help,
Best regards,
Dr Janusz Petkowski
Research Fellow at MIT EAPS<https://eapsweb.mit.edu/people/jjpetkow>
Tel: +1 (617) 258 - 6910<tel:%28857%29%20777-6977>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
