philipwfowler / simple-membrane-protein-analysisLinks
This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.
☆27Updated 4 years ago
Alternatives and similar repositories for simple-membrane-protein-analysis
Users that are interested in simple-membrane-protein-analysis are comparing it to the libraries listed below
Sorting:
- Dynamics PyMOL Plugin☆44Updated last year
- scripts for analyzing molecular dynamics trajectories using VMD☆39Updated 10 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Updated 3 years ago
- A VMD script to calculate side-chain and backbone dihedrals (torsion angles)☆14Updated 9 years ago
- Analysis of non-covalent interactions in MD trajectories☆58Updated 6 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆79Updated last year
- pKa estimates for proteins using an ensemble approach☆28Updated this week
- An open set of tools for automating tasks relating to small molecules☆67Updated 3 years ago
- MMTSB Tool Set☆31Updated last month
- Self explained tutorial for molecular dynamics simulation using gromacs☆25Updated 8 months ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆40Updated 5 years ago
- Python Tools for NAMD☆21Updated 2 months ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆114Updated 6 years ago
- Lab policies, training, style guides, etc.☆35Updated last year
- An application for configuring and running simulations with OpenMM☆71Updated last month
- ☆45Updated 2 months ago
- Pymol ScrIpt COllection (PSICO)☆60Updated 3 weeks ago
- MDplot: Visualise Molecular Dynamics☆28Updated 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 last year
- Materials for the oxford computational biochemistry course including python☆48Updated 2 years ago
- GridMAT-MD membrane analysis program☆25Updated 6 years ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated 3 months ago
- MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories☆25Updated 5 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆69Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆62Updated 4 years ago
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆28Updated last year
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM☆49Updated 7 years ago