pamellaccar / gromacs_with_packmolLinks
A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
☆36Updated 2 years ago
Alternatives and similar repositories for gromacs_with_packmol
Users that are interested in gromacs_with_packmol are comparing it to the libraries listed below
Sorting:
- ☆40Updated 2 years ago
- ☆45Updated 2 months ago
- Molecular Dynamics for Experimentalists☆62Updated last week
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆71Updated 4 months ago
- ☆48Updated 8 months ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆27Updated 8 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated last year
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆69Updated 7 months ago
- ☆20Updated last year
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆59Updated last week
- 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
- ☆69Updated last month
- Modelling of Large Protein Complexes☆37Updated last week
- Cloud-based Drug Binding Structure Prediction☆37Updated 4 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆36Updated 2 months ago
- Fully automated high-throughput MD pipeline☆63Updated last month
- Compilation of chemoinformatics and machine learning techniques☆59Updated 2 weeks ago
- ☆31Updated 4 years ago
- Material from papers from KULL centre☆69Updated last year
- Interactive Python notebooks for PDBe API training☆55Updated last month
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆80Updated last year
- Python interface for the RCSB PDB search API.☆64Updated 4 months ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆18Updated 3 months ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Updated 2 years ago
- Plugin for folding sequences directly in PyMOL☆27Updated this week
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆73Updated 11 months ago
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆78Updated 4 months ago
- Set of useful HADDOCK utility scripts☆53Updated 11 months ago
- Slides + Iframe = sliFrame☆55Updated 4 months ago