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)