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Difference between revisions of "rexanalysis.pl"
From MMTSB
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== Examples == | == Examples == | ||
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| + | rexanalysis.pl -inx 1500:2000 -bycond $cond -apply "convpdb.pl -chain A | centerOfMass.pl " > centerOfMass-A-$con | ||
| + | d-ph$ph.data | ||
| + | |||
| + | This command computes the center of mass and the radius of gyration for a series of pdb files, based on conditions or temperature from replica exchange simulations. | ||
Revision as of 16:21, 20 July 2009
Usage
usage: rexanalysis.pl [options]
options: [-dir workdir]
[-inx from:to] [-step value]
[-byclient clientid]
[-bytemp temp]
[-bycond condindex]
[-order client|temp]
[-apply cmd]
[-function file]
[-nanvalue value]
[-wham prop:fname:from:to:nbins[=...]]
[-whamtemp temp[:temp2...]
[-whamener file]
[-out dcdfile]
[-atoms from:to] [-nsel Selection]
[-verbose]
Description
Options
- -help
- usage information
Examples
rexanalysis.pl -inx 1500:2000 -bycond $cond -apply "convpdb.pl -chain A | centerOfMass.pl " > centerOfMass-A-$con d-ph$ph.data
This command computes the center of mass and the radius of gyration for a series of pdb files, based on conditions or temperature from replica exchange simulations.