INNER CODE UNIT · Python

conf

Electrostatics/pdb2pqr · pdb2pqr/hydrogens/__init__.py:209

            conf = hdef.conformations[state_id - 1]
            refcoords = []
            defcoords = []
            defatomcoords = []
            if conf == ():
                continue
            hname = conf.hname
            for atom in conf.atoms:
                if (
                    residue.is_n_term
                    and residue.name == "PRO"
                    and atom.name == "H"
                ):
                    atom.name = "CD"
                    atom.x = 1.874
                    atom.y = 0.862
                    atom.z = 1.306

View source record →