Tools for Computational Biology Research
gRINN is a Graphical User as well as a Command-Line Interface (GUI/CLI) for efficient pairwise residue interaction energy computation from protein Molecular Dynamics (MD) simulation trajectories (generated by NAMD or GROMACS simulation software) and subsequent analysis/viewing of results. Features included are:
You can obtain the tool by clicking here.
gRINN is not open-source software (for now). A manuscript proposal for gRINN is pending for approval! Once it is published, the repository containing the gRINN source-code will be made public.
traj_analysis is a repository where I store small scripts for quick-and-easy MD simulation trajectory analysis.
monitor-shutdown is a small package including two scripts for monitoring power outages. You probably do not need this if you don't experience frequent long-lasting power outages.