MMTSB
Tool Set Documentation

Difference between revisions of "pdb2traj.pl"

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== Description ==
 
== Description ==
  
 +
Generates a trajectory file given a list of PDB file names as command line arguments.
  
 
== Options ==
 
== Options ==
  
 
; -help : usage information
 
; -help : usage information
 +
; -f list : generate a trajectory file given a list of PDB files
 +
; -out file : specifies the output trajectory file name
  
 +
== Examples ==
  
== Examples ==
+
<mmtsbToolExample cmd="pdb2traj.pl" set="test1"></mmtsbToolExample>

Latest revision as of 01:07, 1 August 2009

Usage

usage:   pdb2traj.pl [options] [PDBfiles]
options: [-f listfile]
         [-out file]
         [-nsel selection]

Show source


Description

Generates a trajectory file given a list of PDB file names as command line arguments.

Options

-help 
usage information
-f list 
generate a trajectory file given a list of PDB files
-out file 
specifies the output trajectory file name

Examples

pdb2traj.pl -out sample.dcd 1vii.sample.?.pdb
combines a set of PDB files into a CHARMM trajectory file. The output is the list of file names that are being added to the trajectory.

1vii.sample.1.pdb
1vii.sample.2.pdb
1vii.sample.3.pdb
1vii.sample.4.pdb
1vii.sample.5.pdb
1vii.sample.6.pdb
1vii.sample.7.pdb
1vii.sample.8.pdb
1vii.sample.9.pdb