Index

A

a() (molsystem.cell.Cell property)

alpha() (molsystem.cell.Cell property)

B

b() (molsystem.cell.Cell property)

beta() (molsystem.cell.Cell property) bonded_neighbors() (molsystem.topology.TopologyMixin method)

C

c() (molsystem.cell.Cell property) Cell (class in molsystem.cell) CIFMixin (class in molsystem.cif) copy_system() (molsystem.systems.Systems method)

cos() (in module molsystem.cell) create_molecule_subsets() (molsystem.topology.TopologyMixin method) create_molecule_templates() (molsystem.topology.TopologyMixin method) create_system() (molsystem.systems.Systems method)

E

equal() (molsystem.cell.Cell method)

F

find_molecules() (molsystem.topology.TopologyMixin method) from_cif_text() (molsystem.cif.CIFMixin method)

from_molfile_text() (molsystem.molfile.MolFileMixin method) from_pdb_text() (molsystem.pdb.PDBMixin method)

G

gamma() (molsystem.cell.Cell property) grouped() (in module molsystem.atoms) (in module molsystem.table) (in module molsystem.templateatoms)

L

list() (molsystem.systems.Systems method)

M

module molsystem molsystem.atoms molsystem.bonds molsystem.cell molsystem.cell_parameters molsystem.cif molsystem.column molsystem.elemental_data molsystem.frozencolumn molsystem.molfile molsystem.pdb molsystem.system molsystem.systems molsystem.table molsystem.template molsystem.templateatoms molsystem.templatebonds molsystem.topology MolFileMixin (class in molsystem.molfile) molsystem module molsystem.atoms module molsystem.bonds module molsystem.cell module

molsystem.cell_parameters module molsystem.cif module molsystem.column module molsystem.elemental_data module molsystem.frozencolumn module molsystem.molfile module molsystem.pdb module molsystem.system module molsystem.systems module molsystem.table module molsystem.template module molsystem.templateatoms module molsystem.templatebonds module molsystem.topology module

O

open_system() (molsystem.systems.Systems method)

overwrite() (molsystem.systems.Systems method)

P

parameters() (molsystem.cell.Cell property)

PDBMixin (class in molsystem.pdb)

S

sin() (in module molsystem.cell)

Systems (class in molsystem.systems)

T

to_cartesians() (molsystem.cell.Cell method) to_cartesians_transform() (molsystem.cell.Cell method) to_cif_text() (molsystem.cif.CIFMixin method) to_fractionals() (molsystem.cell.Cell method)

to_fractionals_transform() (molsystem.cell.Cell method) to_mmcif_text() (molsystem.cif.CIFMixin method) to_molfile_text() (molsystem.molfile.MolFileMixin method) to_pdb_text() (molsystem.pdb.PDBMixin method) TopologyMixin (class in molsystem.topology)

V

volume() (molsystem.cell.Cell property)