2. Installation

The current version of the CURP program supports Mac and Linux systems.

2.1. System Requirements

The CURP program has been tested on the following systems:

2.1.1. Linux

• OS Version: CentOS 6.x, Ubuntu 18.x

2.1.2. Mac

• OS Version: Marvericks or Yosemite with XCode 6.1

CURP runs on python2.7 and requires numpy to be installed. The system should be working under openMPI.

2.2. Installation

2.2.1. Pip

Run pip install Curp or any flavor of pip (conda install curp, pip install --user curp, pipenv install curp, …)

2.2.2. Git

If you want to develop curp or simply access to its source you can install it through its GitHub repository:

git clone https://github.com/yamatolab/current-calculations-for-proteins.git

In the created directory, simply run pip install --user . or python setup.py install --user. If you are admin and want every user of the machine to be able to use curp, use pip install . instead.

2.3. Running CURP

To run CURP, simply enter curp compute <input_file>. A few commands are also available from the terminal to analyze CURP results: curp cal-tc, curp sum-tc, curp conv-trj and curp graph-een.

The users set the CURP parameters in <input_file> (default: run.cfg).

Test calculations of curp can be run by cloning the GitHab repository, then running runall.sh in test folder.