rinikerlab/restraintmaker

Restraintmaker is a tool intended to build Position or Distance restraints for Molecular Dynamics simulations (or any other simulation technique with coordinate-based particles). It can be used on a script layer or as an interactive plugin for PyMol. Features are different selection modes and Optimizers to distribute restraints.

Language: Python - Size: 34 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 8 - Forks: 3