parmed.Structure#

add(to_item, item[, atom_indices, ...])

append_structures(item[, structure_id, ...])

copy(item[, skip_digestion])

extract(item[, atom_indices, ...])

has_attribute(molecular_system, attribute[, ...])

is_form(item)

StructuresIterator(molecular_system[, ...])

TopologyIterator(molecular_system)

merge(items[, atom_indices, skip_digestion])

set

to_file_cif

to_file_mol2

to_file_pdb

to_file_psf

to_mdtraj_Topology

to_mdtraj_Trajectory

to_molsysmt_MolSys

to_molsysmt_Structures

to_molsysmt_Topology

to_nglview_NGLWidget

to_openmm_Modeller

to_openmm_Topology

to_parmed_GromacsTopologyFile