add(to_item, item[, atom_indices, ...])
|
|
append_structures(item[, structure_id, ...])
|
|
copy(item[, output_filename, skip_digestion])
|
|
extract(item[, atom_indices, ...])
|
|
get
|
|
has_attribute(molecular_system, attribute[, ...])
|
|
is_form(item)
|
|
StructuresIterator(molecular_system[, ...])
|
|
TopologyIterator(molecular_system[, ditest])
|
|
merge(items[, atom_indices, ...])
|
|
set
|
|
to_mdtraj_GroTrajectoryFile(item[, ...])
|
|
to_mdtraj_Topology(item[, atom_indices, ...])
|
|
to_mdtraj_Trajectory(item[, atom_indices, ...])
|
|
to_molsysmt_GROFileHandler(item[, ...])
|
|
to_molsysmt_MolSys(item[, atom_indices, ...])
|
|
to_molsysmt_Structures(item[, atom_indices, ...])
|
|
to_molsysmt_Topology(item[, atom_indices, ...])
|
|
to_nglview_NGLWidget(item[, atom_indices, ...])
|
|
to_openmm_GromacsGroFile(item[, ...])
|
|
to_openmm_Modeller(item[, atom_indices, ...])
|
|
to_openmm_Topology(item[, atom_indices, ...])
|
|
