pdb2traj.pl

Usage

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

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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