Welcome to the CAMPARITraj docs!

Last updated: June 5th 2019

CAMPARITraj is a Python package for the analysis of all-atom simulations of unfolded/disordered proteins. It provides a wide range of functionalities that may not be of use for folded proteins, but provide important insight into simulations of intrinsically disordered proteins. CAMPARITraj was formerly known as CTraj, and includes all the original functionality therein.

CAMPARITraj was built for the analysis of simulations from the CAMPARI simulation engine in mind. However, it has been succesfully tested on a wide-range of trajectories generated from different software packages. It utilizes the mdtraj (http://mdtraj.org.) backend for trajectory reading and representation, providing effectively an additional layer of analysis utilities on top of mdtraj.

This documentation is currently being generated as we finalize CAMPARITraj.

Quickstart!

Update: May 2019 CAMPARITraj is currently still being finalized, so we do not currently recommend installation directly from the GitHub repository as tests, final code tweaks, and even major changes to the code-base are occurring constantly. However, in principle, assuming camparitraj is building, once downloaded from GitHub it can be installed via

pip install .

We plan to release CAMPARITraj over conda-forge once it has finalized and all tests are building. For more information see the installation page.

About

CAMPARITraj is built and maintained by Alex Holehouse. It’s development was supported financially and intelluctually by the Molecular Sciences Software Institute (MOLSSI).