genPSF.pl

Usage

usage:   genPSF.pl [PDBfile]
         [-par CHARMMparams] [-crdout file]
         [-xplor]
         [-log file] [-cmd file]

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Description

Generate a protein structure file (PSF). This is often useful when dealing with large PDB files.

Options

-help 

usage information

-par CHARMMparams 

use specified CHARMM_Parameters

-crdout file 

generate coordinate file (CRD)

-xplor 

generate a PSF file using XPLOR format

-log file 

generate a CHARMM log file

-cmd file 

generate a CHARMM input file