You need to add all hydrogens. I have never understood why those options are provided.
On Thu, 1 Nov 2018, 19:41 Leif Peterson <leifepeter...@sbcglobal.net wrote: > 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 >
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