Hello all,
I'm trying to get the 2D coordinates and info of all the atoms and bonds,
including hydrogens (i.e. atom type, bond type, etc.) of a molecule in a
standard structural formula. To clarify: I'm not referring to
Chem.MolToMolBlock(), but the coordinates used by the Draw class (e.g. in
MolToFile()) to create standard representations.
Any advice on how to extract those? Maybe one can reach them via one of the
Draw member functions/variables?
Best,
Peleg
------------------------------------------------------------------------------
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
