NAME

       xplor2gmx - Convert XPLOR distance restraints to Gromacs format

SYNOPSIS

       xplor2gmx (residue offset)  input.pdb

DESCRIPTION

       xplor2gmx  reads  an  XPLOR  input  file  with  distance  restraint data as sometimes is found in the pdb
       database (http://www.pdb.org).  From this input file dihedral restrints should be removed, such that only
       distance  restraints  are  left.  The  script  can handle ambiguous restraints.  It converts the distance
       restraints to GROMACS format.

       A restraints file (.dat) should be provided on STDIN, and a  suitable  output  file  (.itp)  is  sent  to
       STDOUT.

EXAMPLES

       xplor2gmx.pl 33 conf.pdb < restraints.dat > disre.itp

OPTIONS

       xplor2gmx  requires  two  command  line  options:  first,  the residue offset (integer); second, the .pdb
       filename.  The pdb file must have correct atom numbers.

SEE ALSO

       gromacs(7)