#

restraints

Here are 4 public repositories matching this topic...

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.

python interactive pymol-plugin python3 md-simulations free-energy-calculations restraints topology-building system-generation

Updated Oct 27, 2022
Python

austinv11 / HaddockRestraints

Simple python script to generate unambiguous/ambiguous distance restraints files for HADDOCK

python python3 docking haddock restraints

Updated Nov 6, 2020
Python

rvhonorato / haddock-restraints

Generate restraints to be used in HADDOCK

structural-biology haddock tbl restraints

Updated Jun 4, 2024
Rust

Fluorescence-Tools / FPS

Fluorescence positioning system

fps simulation structure fluorescence fret fret-positioning restraints

Updated Jul 29, 2019
C#

Improve this page

Add a description, image, and links to the restraints topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the restraints topic, visit your repo's landing page and select "manage topics."