Pdbset (ccp4)

pdbset — is part of the ccp4 package and has various useful manipulations on coordinate files (e.g., PDB files).

Syntax

pdbset XYZIN foo_in.pdb XYZOUT foo_out.pdb
[Keyworded input]

Keyworded input

• The available keywords are:

BFACTOR, CELL, CHAIN, COM, ELEMENT, EXCLUDE, OCCUPANCY, ORTHOGONALIZATION, OUTPUT, PICK, REMARK, RENUMBER, REORTHOGONALIZE, REPLACE, ROTATE, SELECT, SEQUENCE, SHIFT, SPACEGROUP, SYMGEN, TRANSFORM, UTOB, XPLOR, NOISE, ATRENUMBER

Example usage

#!/bin/sh -f
pdbset xyzin input.pdb xyzout output.pdb << eof
OCCUPANCY RESET 90
BFACTOR ALWAYS 0
eof

Or,

echo "BFACTOR ALWAYS 0" | pdbset xyzin input.pdb xyzout output.pdb

External links

• pdbset man page