rexanalysis.pl

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]

Show source

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.