NISARA is a simple Python-based script for clustering structures. Instead of all-vs-all BLAST (E-value) comparisons, NISARA uses all-vs-all TM-align comparisons (TM-score). NISARA produces a CLANS file which can be visualized in the CLANS program.
Requirements: Anaconda installed on the computer. Anaconda can be downloaded from: https://www.anaconda.com/.
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Copy repo (extract input) into the desired working-directory.
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Create a new conda environment using the
NISARA_v1.0.yml
file (located in the root directory of NISARA) using the following command:On Linux:
conda env create -f NISARA_v1.0.yaml
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Activate the newly created environment:
conda activate NISARA_v1.0
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Run
python NISARA_v1.0e.py
to display description. -
Simple run:
python NISARA_v1.0e.py arts 0.4 0.7 2 8
A detailed tutorial is found here: ... Will be soon!