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Difference between revisions of "pdb2traj.pl"
From MMTSB
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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 == | ||
| − | == | + | <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]
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