next up previous contents index
Next: model.clear_topology() clear Up: The model class: handling Previous: model.read() read   Contents   Index

model.write() -- write MODEL

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$ {}_{iso}$ ) 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.


next up previous contents index
Next: model.clear_topology() clear Up: The model class: handling Previous: model.read() read   Contents   Index
Ben Webb 2007-01-19