haddock.clis.restraints.restrain_bodies module

haddock3-restraints restrain_bodies subcommand.

The restrain_bodies subcommand creates distance restraints to lock several chains together. Useful to avoid unnatural flexibility or movement due to sequence/numbering gaps.

Usage:

haddock3-restraints restrain_bodies <structure> [--exclude] [--verbose]
haddock.clis.restraints.restrain_bodies.add_restrain_bodies_arguments(restraint_bodies_subcommand)[source]
haddock.clis.restraints.restrain_bodies.restrain_bodies(structure, exclude=None, verbose=0)[source]

Create distance restraints to lock several chains together.

Parameters:

  • structure (str) – The PDB structure to be restrained.

  • exclude (str) – Chains to exclude from the calculation.

  • verbose (int) – Tune verbosity of the output.