meld.runner.transform.restraints

This module implements transformers that add restraint forces to the openmm system before simulation

Modules

meld.runner.transform.restraints.cartesian

This module implements transformers that add cartesian restraints

meld.runner.transform.restraints.com

This module implements transformers that add COM restraints

meld.runner.transform.restraints.confinement

This module implements transformers that add confinement restraints

meld.runner.transform.restraints.meld

meld.runner.transform.restraints.rdc

This module implements transformers that add rdc restraints

meld.runner.transform.restraints.util

Helper functions for restraint transformers