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| __init__(self,
ct,
iatom) |
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| add_current_to_states(self,
ct) |
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| assign_state(self,
ct,
istate,
add_labels=True,
label_pkas=False) |
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| change_pka(self,
pka,
propka_pH) |
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| enumerate_states(self,
ct,
acceptors,
donors,
pH,
do_flips=True,
include_initial=False) |
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| get_adjustable_atoms(self) |
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| get_atom_name(self,
ct,
iatom) |
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| get_dihedral_atoms(self,
ct,
h) |
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| get_new_index(self,
ct,
atom_index,
new_indices) |
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| get_penalty(self,
istate) |
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| get_residue_name(self,
ct,
iatom) |
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| swap_atoms(self,
ct,
atom1,
atom2) |
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| update_atom_indices(self,
ct,
new_indices) |
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