MMTSB
Tool Set Documentation

Difference between revisions of "Rgyr.pl"

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== Description ==
 
== Description ==
  
This script calculates the radius of gyration in Angstrom of
+
This script calculates the radius of gyration in Ångstrom for
a given protein structure.
+
a given structure.
 +
 
 
== Options ==
 
== Options ==
  
 
; -help : usage information
 
; -help : usage information
 
+
; -caonly : use only C-alpha atoms for calculating the radius of gyration (otherwise all non-hydrogen atoms are used)
  
 
== Examples ==
 
== Examples ==
  
 
<mmtsbToolExample cmd="rgyr.pl" set="/apps/mmtsb/bench/rgyr.pl-test/test1"></mmtsbToolExample>
 
<mmtsbToolExample cmd="rgyr.pl" set="/apps/mmtsb/bench/rgyr.pl-test/test1"></mmtsbToolExample>
 +
 +
<mmtsbToolExample cmd="rgyr.pl" set="/apps/mmtsb/bench/rgyr.pl-test/test2"></mmtsbToolExample>

Latest revision as of 22:38, 13 September 2010

Usage

usage: rgyr.pl -cofm x y z -caonly [pdbFile]
Show source


Description

This script calculates the radius of gyration in Ångstrom for a given structure.

Options

-help 
usage information
-caonly 
use only C-alpha atoms for calculating the radius of gyration (otherwise all non-hydrogen atoms are used)

Examples

rgyr.pl 1vii.exp.pdb
determines the radius of gyration

9.389212


rgyr.pl -caonly 1vii.exp.pdb
determines the radius of gyration basd on C-alpha atoms

8.817567