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_openmm_Context(item[, atom_indices, ...])
|
|
to_openmm_Simulation(item[, atom_indices, ...])
|
|
