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Difference between revisions of "rgyr.pl"
From MMTSB
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== Description == | == Description == | ||
| − | This script calculates the radius of gyration in Ångstrom | + | This script calculates the radius of gyration in Ångstrom for |
| − | a given | + | a given structure. |
== Options == | == Options == | ||
; -help : usage information | ; -help : usage information | ||
| − | ; -caonly : use only C-alpha atoms for calculating the radius of gyration | + | ; -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 01:46, 28 July 2009
Usage
usage: rgyr.pl -cofm x y z -caonly [pdbFile]
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