add(to_item, item[, atom_indices, ...])
|
|
append_structures(item[, structure_id, ...])
|
|
copy(item[, skip_digestion])
|
|
extract(item[, atom_indices, ...])
|
|
get_structural_attributes
|
|
get_topological_attributes
|
|
has_attribute(molecular_system, attribute[, ...])
|
|
is_form(item)
|
|
TopologyIterator(molecular_system)
|
|
merge(items[, atom_indices, skip_digestion])
|
|
set
|
|
to_file_pdb(item[, atom_indices, ...])
|
|
to_file_psf(item[, atom_indices, ...])
|
|
to_mdtraj_Topology(item[, atom_indices, ...])
|
|
to_molsysmt_MolSys(item[, atom_indices, ...])
|
|
to_molsysmt_Topology(item[, atom_indices, ...])
|
|
to_networkx_Graph(item[, atom_indices, ...])
|
|
to_nglview_NGLWidget(item[, atom_indices, ...])
|
|
to_openmm_Context(item[, atom_indices, ...])
|
|
to_openmm_Modeller(item[, atom_indices, ...])
|
|
to_openmm_PDBFile(item[, atom_indices, ...])
|
|
to_openmm_Simulation(item[, atom_indices, ...])
|
|
to_openmm_System(item[, atom_indices, ...])
|
|
to_parmed_Structure(item[, atom_indices, ...])
|
|
to_pdbfixer_PDBFixer(item[, atom_indices, ...])
|
|
to_string_amino_acids_1(item[, ...])
|
|
to_string_amino_acids_3(item[, ...])
|
|
to_string_pdb_text(item[, atom_indices, ...])
|
|
write_topology_in_h5msm(item, file[, ...])
|
|
