frobnitzem / pbctoolsLinks
Development version of the pbctools plugin for VMD.
☆16Updated last month
Alternatives and similar repositories for pbctools
Users that are interested in pbctools are comparing it to the libraries listed below
Sorting:
- VMD plugin for manipulating topology information☆38Updated 3 months ago
- Martini 3 small molecule database☆64Updated last month
- OpenMM plugin to interface with PLUMED☆68Updated 6 months ago
- An open source Python framework for transition interface and path sampling calculations.☆113Updated 3 months ago
- ☆56Updated 2 years ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated 10 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- A fast solver for large scale MBAR/UWHAM equations☆40Updated last year
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- LiveCoMS GROMACS Tutorials Paper☆126Updated 6 years ago
- Describe and apply transformation on molecular structures and topologies☆120Updated 2 weeks ago
- Automatic MARTINI parametrization of small organic molecules☆68Updated 3 months ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆37Updated 2 years ago
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆14Updated 9 years ago
- An efficient, multithreaded weighted histogram analysis (WHAM) implementation for the post-processing of umbrella MD simulations.☆28Updated last year
- Yasara plugins for Gromacs users☆32Updated last year
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆115Updated 6 years ago
- the simple alchemistry library☆220Updated 3 weeks ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆204Updated this week
- A comprehensive tool for analyzing liquid solvation structure.☆54Updated 2 months ago
- Density based object completion over PBC.☆30Updated 9 months ago
- A library for converting molecular topologies☆13Updated 10 years ago
- GridMAT-MD membrane analysis program☆25Updated 7 years ago
- ☆71Updated 9 months ago
- Python Tools for NAMD☆21Updated 4 months ago
- ☆125Updated last year
- Experimental and calculated small molecule hydration free energies☆124Updated 2 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆179Updated 3 weeks ago
- How to make images for publication using VMD☆37Updated 4 years ago