Hello, everyone
I'm wondering whether there is a way to set custom coordinates to an atom in a conformer? In particular I'm interested in using the AddAtom() function in the RWMol class to place a new dummy atom in a PDB-file. Illimar Rekand Ph.D. candidate, Brenk-lab, Haug-lab Department of Biomedicine Department of Chemistry University of Bergen _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
