A collection of tools for the analysis of nanocrystals.
Project description
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.
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