Difference between revisions of "qscore.pl"

Latest revision as of 02:40, 28 July 2009

Usage

usage:   qscore.pl [options] refPDB [cmpPDB]
options: [-all]

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Description

This utility calculates Q scores of a given PDB structure with respect to a reference.

Options

-help: usage information
-all: show short-range, medium-range, and long-range Q-scores separately

Examples

qscore.pl 1vii.exp.pdb 1vii.sample.1.pdb
calculates the overall Q-score of 1vii.sample.1.pdb with respect to the reference structure 1vii.exp.pdb

0.179517

qscore.pl -all 1vii.exp.pdb 1vii.sample.1.pdb
calculate short-, medium-, and long-range Q-scores of 1vii.sample.1.pdb with respect to the reference structure 1vii.exp.pdb

all:     0.179517
 short:  0.551687
 medium: 0.193963
 long:   0.034506

@@ Line 2: / Line 2: @@
 == Usage ==
-<mmtsbToolUsage cmd="mindist.pl"></mmtsbToolUsage>
+<mmtsbToolUsage cmd="qscore.pl"></mmtsbToolUsage>
 == Description ==
-This script calculates the minimum distance of heavy atoms between
+This utility calculates Q scores of a given PDB structure
-a pair of residues in a protein structure. The residue numbers and
+with respect to a reference.
-the protein structure are expected as command line arguments.
-The distance in Angstrom is written to standard output.
 == Options ==
 ; -help : usage information
+; -all : show short-range, medium-range, and long-range Q-scores separately
+== Examples ==
-== Examples ==
+<mmtsbToolExample cmd="qscore.pl" set="/apps/mmtsb/bench/qscore.pl-test/test1"></mmtsbToolExample>
-<mmtsbToolExample cmd="mindist.pl" set="/apps/mmtsb/bench/mindist.pl-test/test1"></mmtsbToolExample>
+<mmtsbToolExample cmd="qscore.pl" set="/apps/mmtsb/bench/qscore.pl-test/test2"></mmtsbToolExample>