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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.

Metadata

Release files for Nano-CAT 0.7.2

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for Nano-CAT 0.7.2
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Built distribution (wheel)

Table of built distributions (wheels) for Nano-CAT 0.7.2
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Nano_CAT-0.7.2-py3-none-any.whl Python 3 none any Details

Total release size: 181.9 kB

Release files / Nano-CAT-0.7.2.tar.gz

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Release files / Nano_CAT-0.7.2-py3-none-any.whl

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0.7.2 This release

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0.7.1

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0.7.0

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