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model.write() -- write MODEL

file = <str:1> 'default' name of the coordinates' file
output_directory = <str:1> '' output directory
model_format = <str:1> 'PDB' selects output atom file type: 'PDB' | 'CHARMM' | 'UHBD' | 'GRASP' | 'MMCIF'
write_all_atoms = <bool:1> True whether to write all atoms, even if unselected
no_ter = <bool:1> False whether to not write TER into PDB

Description:
This command writes the current MODEL to a file in the selected format. If the file format is 'PDB', only the selected atoms are written out when write_all_atoms = False; otherwise all atoms are written out.

'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.


next up previous contents index
Next: model.generate_topology() generate Up: The model class: handling Previous: model.read() read   Contents   Index
Ben Webb 2005-04-21