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magic-3, containing the whole package. Below we will refer to MAGIC as full path to this folder.
The whole package consists of 3 parts: CGTraj - the tool for Bead Mapping; magic - the engine for effective potentials calculation; MagicTools - python-based libraries for RDF calculation rdf.py and for data manipulation and analysis of all intermediate data MagicTools.py;
For the python-based part you need python (ver>=3.5) and the following modules: numpy, matplotlib, seaborn, pandas, scipy. We recommend to install Jupyter Notebook which provides extremely convenient environment for processing of your data with python-based MagicTools. They all are parts of Anaconda python distribution, which is freely available to download https://www.anaconda.com/download/.
Alternatively, one can use pip python package manager to install all the packages:
sudo pip install numpy matplotlib scipy seaborn pandas ipython jupyter
For the Fortran-based part of MagiC you need to have a Fortran compiler. Currently we support Intel Fortran and GNU Fortran. Unfortunately Oracle Solaris Studio Fortran is deprecated since it is not compatible with Fortran 2008 standard. Hopefully they will catch it up, so we will be able to get it in the future releases.
To get more information about MagiC, please visit the code repository at BitBucket.
Tutorials and examples of the input files can be found here or downloaded using mercurial
hg clone https://bitbucket.org/magic-su/magic-3-tutorials