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https://readthedocs.org/projects/cat/badge/?version=latest

Nano-CAT

Nano-CAT is a collection of tools for the analysis of nanocrystals, building on the framework of the Compound Attachment Tools package (CAT).

Installation

  • Download miniconda for python3: miniconda (also you can install the complete anaconda version).
  • Install according to: installConda.
  • Create a new virtual environment, for python 3.7, using the following commands:
    • conda create --name CAT python
  • The virtual environment can be enabled and disabled by, respectively, typing:
    • Enable: conda activate CAT
    • Disable: conda deactivate

Dependencies installation

Using the conda environment the following packages should be installed:

  • rdkit: conda install -y --name CAT --channel conda-forge rdkit

Package installation

Finally, install Nano-CAT using pip:

  • Nano-CAT: pip install nano-CAT --upgrade

Now you are ready to use Nano-CAT.