5 results for “topic:restraints”
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.
Generate restraints to be used in HADDOCK
Simple python script to generate unambiguous/ambiguous distance restraints files for HADDOCK
Umbrella Sampling of Ligand Unbinding using Amber2022
Fluorescence positioning system