Pdbset (ccp4) - Revision history

Christoph: /* Example usage */

2012-07-09T01:34:01Z

‎Example usage

Christoph at 06:37, 25 April 2007

2007-04-25T06:37:31Z

Christoph at 04:06, 25 April 2007

2007-04-25T04:06:26Z

Christoph at 04:06, 25 April 2007

2007-04-25T04:06:09Z

New page

'''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:
<code>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</code>

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

==External links==
*[http://www.ccp4.ac.uk/html/pdbset.html pdbset man page]

[[Category:ccp4]]

@@ Line 17: / Line 17: @@
 Or,
   echo "BFACTOR ALWAYS 0" | pdbset xyzin input.pdb xyzout output.pdb
 ==External links==

← Older revision		Revision as of 04:06, 25 April 2007
Line 1:		Line 1:
−	'''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===

@@ Line 1: / Line 1: @@
 '''pdbset''' &mdash; is part of the [[:Category:ccp4|ccp4]] package and has various useful manipulations on coordinate files (e.g., [[PDB]] files).
-==Syntax===
+==Syntax==
   pdbset XYZIN foo_in.pdb XYZOUT foo_out.pdb
   [Keyworded input]
-==Keyworded input===
+==Keyworded input==
 *The available keywords are:
 <code>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</code>
 ==Example usage==
-#!/bin/sh -f
+ #!/bin/sh -f
-pdbset xyzin input.pdb xyzout output.pdb << eof
+ pdbset xyzin input.pdb xyzout output.pdb << eof
-OCCUPANCY RESET 90
+ OCCUPANCY RESET 90
-BFACTOR ALWAYS 0
+ BFACTOR ALWAYS 0
-eof
+ eof
 ==External links==