---
name: "xplor2gmx"
section: "1"
platform: "linux"
package: "gromacs-data"
version: "2025.2-1"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/xplor2gmx"
---

# xplor2gmx(1)

Convert XPLOR distance restraints to Gromacs format

## 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)](/gromacs/7.md)