SYNOPSISxplor2gmx (residue offset) input.pdb
DESCRIPTIONxplor2gmx 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.
EXAMPLESxplor2gmx.pl 33 conf.pdb < restraints.dat > disre.itp