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Difference between revisions of "genPSF.pl"
From MMTSB
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== Description == | == Description == | ||
| + | Generate a protein structure file (PSF). This is often useful when dealing with large PDB files. | ||
== Options == | == Options == | ||
Revision as of 03:37, 29 July 2009
Usage
usage: genPSF.pl [PDBfile]
[-par CHARMMparams] [-crdout file]
[-xplor]
[-log file] [-cmd file]
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