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)
|
|
StructuresIterator(molecular_system[, ...])
|
|
TopologyIterator(molecular_system)
|
|
merge(items[, atom_indices, ...])
|
|
set
|
|
to_file_msmpk(item[, atom_indices, ...])
|
|
to_file_pdb(item[, atom_indices, ...])
|
|
to_molsysmt_MolSys(item[, atom_indices, ...])
|
|
to_molsysmt_Structures(item[, atom_indices, ...])
|
|
to_molsysmt_Topology(item[, atom_indices, ...])
|
|
to_openmm_Context(item[, atom_indices, ...])
|
|
to_openmm_Modeller(item[, atom_indices, ...])
|
|
to_openmm_Topology(item[, atom_indices, ...])
|
|
to_pdbfixer_PDBFixer(item[, atom_indices, ...])
|
|
