nanome.api.structure.io.complex_io module

class ComplexIO(base_object=None)[source]

Bases: nanome._internal.addon._Addon

class MMCIFSaveOptions

Bases: object

Options for saving MMCIF files.
Includes options for writing:
- hydrogens
- only selected atoms
class PDBSaveOptions

Bases: object

Options for saving PDB files.
Includes options for writing:
- hydrogens
- TER records
- bonds
- heterogen bonds
- only selected atoms
class SDFSaveOptions

Bases: object

Options for saving SDF files.
Includes options for writing:
- all bonds
- heterogen bonds
from_mmcif(**kwargs)[source]
Loads the complex from a .cif file
Returns:

The complex read from the file
Return type:

Complex
Parameters:

kwargs – See below
Keyword Arguments:
 
path (str)

Path to the file containing the structure

file (file)

Opened file containing the structure

lines (list of str)

List of lines from the file

string (str)

Contents of the file as a single string
from_pdb(**kwargs)[source]
Loads the complex from a .pdb file
Returns:

The complex read from the file
Return type:

Complex
Parameters:

kwargs – See below
Keyword Arguments:
 
path (str)

Path to the file containing the structure

file (file)

Opened file containing the structure

lines (list of str)

List of lines from the file

string (str)

Contents of the file as a single string
from_sdf(**kwargs)[source]
Loads the complex from a .sdf file
Returns:

The complex read from the file
Return type:

Complex
Parameters:

kwargs – See below
Keyword Arguments:
 
path (str)

Path to the file containing the structure

file (file)

Opened file containing the structure

lines (list of str)

List of lines from the file

string (str)

Contents of the file as a single string
to_mmcif(path, options=None)[source]
Saves the complex into a .cif file
Parameters:
to_pdb(path, options=None)[source]
Saves the complex into a .pdb file
Parameters:
to_sdf(path, options=None)[source]
Saves the complex into a .sdf file
Parameters: