Installation

Dependencies

ClayCode is compatible with UNIX operating systems and requires python version 3.9, pipx and a local GROMACS installation. It relies on the following python libraries:

NumPy (\(\geq\) 1.21.2)

Pandas (\(\geq\) 1.3.4)

MDAnalysis (\(\geq\) 2.0.0)

ClayCode

The package can be installed by cloning the source code repository and executing the bash installation script.

git clone https://github.com/Erastova-group/ClayCode.git
cd ClayCode
bash install.sh