INNER CODE UNIT · Python

switchstate

Electrostatics/pdb2pqr · pdb2pqr/hydrogens/__init__.py:106

    def switchstate(self, states, amb, state_id):
        """Switch a residue to a new state by first removing all hydrogens.

        :param states:  the list of states
        :type states:  list
        :param amb:  the amibiguity to switch
        :type amb:  tup
        :param state_id:  the state id to switch to
        :type state_id:  int
        """
        if states == "pKa":
            return self.pka_switchstate(amb, state_id)

        if state_id > len(states):
            raise IndexError("Invalid State ID!")

        # First Remove all Hs
        residue = amb.residue

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