Re: [Open Babel] Adding hydrogens in right order

2012-08-02 Thread My Th
O , 2012-07-31 17:12 +0400, Чугунов Антон rakstīja: > Dear open babel users, > I'm adding hydrogens in python script > using pep.OBMol.AddHydrogens(False, True, 7) function (where pep is > pybel molecule). But after saving this to PDB file I've got a problem: > all hydrogens are written AFTER all h

Re: [Open Babel] Adding hydrogens in right order

2012-07-31 Thread Craig James
On Tue, Jul 31, 2012 at 6:12 AM, Чугунов Антон wrote: > Dear open babel users, > I'm adding hydrogens in python script using pep.OBMol.AddHydrogens(False, > True, 7) function (where pep is pybel molecule). But after saving this to > PDB file I've got a problem: all hydrogens are written AFTER all