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NISARA

Network Analysis of Structure Similarity Alignment V1.0e

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.

Installation

Requirements: Anaconda installed on the computer. Anaconda can be downloaded from: https://www.anaconda.com/.

From source using conda:

  1. Copy repo (extract input) into the desired working-directory.

  2. 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.

  3. Activate the newly created environment: conda activate NISARA_v1.0.

  4. Run python NISARA_v1.0e.py to display description.

  5. Simple run: python NISARA_v1.0e.py arts 0.4 0.7 2 8

Tutorial

A detailed tutorial is found here: ... Will be soon!

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