23 packages found. Page 1 of 1.

Name Version Votes Popularity? Description Maintainer
dssp 3.1.4-1 3 0.00 Secondary structure assignment for proteins hseara
gausssum 3.0.2-2 4 0.00 A Program for getting results of Gaussian and GAMESS hseara
gromacs 2021.2-1 20 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gromacs-2019-complete 2019.6-1 0 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gromacs-2019-complete-charmm36 201903-2 0 0.00 CHARMM36 force field in GROMACS format. hseara
gromacs-2020-complete 2020.5-1 0 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gromacs-2020-complete-charmm36 202007-1 0 0.00 CHARMM36 force field in GROMACS format. hseara
gromacs-4.6-complete 4.6.7-7 1 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gromacs-charmm36 202007-1 1 0.00 CHARMM36 force field in GROMACS format. hseara
gromacs-plumed 2020.4-1 2 0.00 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched) hseara
g_lomepro 1.0.2-3 0 0.00 Local Membrane Property Analysis hseara
openmm 7.4.2-2 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara
plumed 2.7.0-1 4 0.00 An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. hseara
python-griddataformats 0.5.0-1 1 0.00 The gridDataFormats package provides classes to unify reading and writing n-dimensional datasets. One can read grid data from files, make them available as a Grid object, and allows one to write out the data again. hseara
python-gsd 2.4.0-1 0 0.00 GSD files store trajectories of the HOOMD-blue system state in a binary file with efficient random access to frames and allows all particle and topology properties to vary from one frame to the next. hseara
python-mdanalysis 1.0.0-2 1 0.00 An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. hseara
python-mdtraj 1.9.5-1 3 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara
python-mmtf 1.1.2-1 0 0.00 The macromolecular transmission format (MMTF) is a binary encoding of biological structures. hseara
python-msmbuilder 3.8.0-1 0 0.00 A python package which implements a series of statistical models for high-dimensional time-series hseara
python2-espressopp 1.9.4.1-1 0 0.00 ESPResSo++ is an extensible, flexible, fast and parallel simulation software for soft matter research. hseara
votca-csg 1.4.1-1 0 0.00 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. hseara
votca-tools 1.4.1-1 0 0.00 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. (LIBRARY) hseara
wxmacmolplt 7.7-1 8 0.00 An open-source gui for preparing, submitting and visualizing input and output for the GAMESS quantum chemistry package. hseara

23 packages found. Page 1 of 1.