mmtbx
.chemical_components
index
/net/chevy/raid1/rwgk/dist/cctbx_project/mmtbx/chemical_components/__init__.py
Package Contents
cif_parser
tst
Functions
find_data_dir
()
generate_chemical_components_codes
()
get_alternative_name
(code, name)
get_atom_names
(code, alternate
=False
)
get_bond_pairs
(code, alternate
=False
)
get_cif_dictionary
(code, filename
=None
)
get_cif_filename
(code)
get_header
(code)
get_hydrogen_names
(code, wrap
=False
, alternate
=False
)
get_name
(code)
get_smiles
(code)
get_type
(code)
is_code
(code)
is_residue_specified
(code, alternate
=False
)
Data
data_dir
= '/net/chevy/raid1/rwgk/dist/chem_data/chemical_components'
loaded_cifs
= {}