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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

haddocking / haddock-restraints

Generate restraints to be used in HADDOCK

structural-biology haddock tbl restraints

Updated Nov 21, 2024
Rust

Fluorescence-Tools / FPS

Fluorescence positioning system

fps simulation structure fluorescence fret fret-positioning restraints

Updated Jul 29, 2019
C#

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