|file = <str:1>||'default'||name of the coordinates' file|
|model_format = <str:1>||'PDB'||selects output atom file type: 'PDB' | 'CHARMM' | 'UHBD' | 'GRASP' | 'MMCIF'|
|no_ter = <bool:1>||False||whether to not write TER into PDB|
This command writes the current MODEL to a file in the selected format.
If you want to only write out a subset of the atoms, see selection.write().
'PDB' writes out files in the Protein Data Bank (PDB) format. Note that the isotropic temperature factor (B ) field can be set by selection.energy() or model.write_data().
'MMCIF' writes out files in the Macromolecular Crystallographic Information File (mmCIF) format.
The 'GRASP' format is the same as the 'PDB' format, except that it includes two special lines at the top of the file and the atomic radii and charges in the columns following the Cartesian coordinates of atoms. This format is useful for input to program GRASP, written by Anthony Nicholls in the group of Barry Honig at Columbia University [Nicholls et al., 1991].
Example: See model.read() command.