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Installation

The latest "stable" version of Molecular Systems can be installed from the UIBCDF Anaconda channel:

conda -c uibcdf molecular_systems

If you want to work with the not so tested last beta version, the installation command is the following:

conda install -c uibcdf/label/dev molecular_systems

The former beta version is nothing but a quenched version from the main github repository of this project which it is done from time to time with few scruples. The raw code fully alive can be installed from this github repo as follows:

git clone https://github.com/uibcdf/Molecular_Systems.git
cd Molecular_Systems
python setup.py develop

In the first two cases, Molecular Systems can be uninstalled with conda:

conda remove molecular_systems

But if you installed Molecular Systems straight from its github central repository, do the following to uninstall it:

pip uninstall molecular_systems