A tool to analyze molecular simulations
SimAnalysisTools is a package for analyzing your molecular simulations.
Foremost, it is a wrapper for the MDAnalysis package to perform several analysis of coordinate trajectories. This program is called simanalysis
It also contains other tools.
To install this tool, clone or download the git repository. Change to the downloaded directory and install the software with
python setup.py install
To find the available commands
simanalysis -h
To find the help of individual commands
simanalysis rmsd -h
To analyze the RMSD of a protein
simanalysis rmsd -f sim.txtc -s struct.gro
To analyze common membrane properties
simanalysis memprop -f sim.txt -s struct.gro --lipidmask "resname DOPC"