Tsjerk / MartiniToolsLinks
☆19Updated 8 years ago
Alternatives and similar repositories for MartiniTools
Users that are interested in MartiniTools are comparing it to the libraries listed below
Sorting:
- ☆25Updated 3 years ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆27Updated 11 months ago
- ☆36Updated 9 months ago
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆37Updated last year
- Python Tools for NAMD☆21Updated last month
- Analysis of non-covalent interactions in MD trajectories☆58Updated 5 months ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- ☆54Updated 2 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- Scripts for PCA and related analyses of lipid motions☆9Updated 3 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Updated 3 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- User Guide for MDAnalysis☆25Updated last month
- Calculation of water/solvent partition coefficients with Gromacs.☆28Updated 8 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆62Updated 4 years ago
- Q6 Repository -- EVB, FEP and LIE simulator.☆31Updated last year
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- Collection of interaction and molecule parameters for the Martini3 force-field☆16Updated 2 years ago
- Density based object completion over PBC.☆30Updated 6 months ago
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆23Updated last year
- ☆66Updated 2 weeks ago
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆15Updated 2 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Automatic Mutual Information Noise Omission☆15Updated 8 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Advanced toolkit for binding free energy calculations☆32Updated last week
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆46Updated 4 years ago
- Lab policies, training, style guides, etc.☆35Updated last year
- scripts for analyzing molecular dynamics trajectories using VMD☆38Updated 10 years ago