Dear RDKit Community,
I have a quick question. Is it possible to return a Z-matrix instead of the
usual, Cartesian coordinates for a molecule in RDKit or do you know of any way
of converting or generating Z-matrix coordinates for a batch of molecules?
Thanks!
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