Python API ReferenceΒΆ

meld.comm

meld.gmmfit

meld.parse

Functions to read in sequences, secondary structures, and RDCs.

meld.pdb_writer

meld.util

meld.vault

meld.remd

meld.remd.adaptor

meld.remd.ladder

meld.remd.launch

meld.system

meld.system.builder

meld.system.montecarlo

meld.system.patchers

This module implements Patcher classes that can modify the system to include new atoms and/or paramters.

meld.system.protein

meld.system.restraints

Implements all of the restraints available in MELD.

meld.system.runner

meld.system.state

meld.system.system

meld.system.openmm_runner.cmap

meld.system.openmm_runner.runner

meld.system.openmm_runner.transform

Transformers are objects that take an openmm system as created by loading an amber topology and modify it in various ways.

meld.system.openmm_runner.transform.rest2

This module implements a transformer that implements REST2.

meld.system.openmm_runner.transform.restraints

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