Software

The group is participating in the development of GROMACS molecular dynamics simulator.

Image source: Wikimedia Commons File:Gmx logo blue.png

There are occasional contributions to other free and open-source software based on the requirements of the research projects we work on and courses we teach.

Packaging

The group is actively co-maintaining several computational biochemisty packages in Arch User Repository (AUR), specifically:

• AmberTools -> ambertools
• GridDataFormats -> python-griddataformats
• GROMACS -> gromacs
• GSD -> python-gsd
• MDAnalysis -> python-mdanalysis
• MDTraj -> python-mdtraj
• MMTF -> python-mmtf
• RDKit -> rdkit

Author: Vedran Miletić