Hello, everyone
Is there a simple way to create a mol object from just the HETATM/ligand lines from a pdb-file? Would it be viable to create a function where you could create a mol object from specific lines within 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 [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
