Before performing ligand energy minimization then docking with receptors, I am adding hydrogens to ligands via the syntax:
Addhydrogens(False, False); I am pretty sure this adds implicit H since polar-only is false. For docking, should I only add polar H, or is ...(False, False) the recommended choice for ligand prep?
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
