Code and data for predicting mutation-induced protein fold switching
Dependencies: clustal omega: http://www.clustal.org/omega/ python3: https://www.python.org/downloads/ pandas module for python3: https://www.python.org/downloads/
Scripts included: jpredapi multibatch_jpredapi
NOTES: Before running, open the source code (compare_preds.py) and: ->Change paths for clustalo, Jpred4 API, and scheduler as appropariate
usage: compare_test.py [-h] [-t THRES] [-np N_PRED] [-e email] [-c FASTA_A FASTA_B] [--skip] [--clean]
Compares secondary structure prediction discrepancies between two protein families.
optional arguments: -h, --help show this help message and exit -t THRES threshold for discrepancy (default: 0.1) -np N_PRED number of residues to use for prediction (default: 200) -e email email address for Jpred4 submission (required) (default: None) -c FASTA_A FASTA_B fasta files for secondary structure comparison (required) (default: None) --skip skip scheduler (default: None) --clean clean temporary folders and files (default: None)