Difference between revisions of "Pdbset (ccp4)"
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| − | '''pdbset''' — is part of the [[ccp4]] package and has various useful manipulations on coordinate files (e.g., [[PDB]] files). | + | '''pdbset''' — is part of the [[:Category:ccp4|ccp4]] package and has various useful manipulations on coordinate files (e.g., [[PDB]] files). |
==Syntax=== | ==Syntax=== | ||
Revision as of 04:06, 25 April 2007
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
