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bioemu/setup.sh

22 lines
553 B
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#!/bin/bash
# Set up directory structure for BioEmu workflow
BASE_DIR="/mnt/OmicNAS/private/old/olamide/bioemu"
# Create necessary directories
mkdir -p ${BASE_DIR}/input
mkdir -p ${BASE_DIR}/output
mkdir -p ${BASE_DIR}/cache
mkdir -p ${BASE_DIR}/scripts
# Copy FASTA files
cp villin_headpiece.fasta ${BASE_DIR}/input/
cp trp_cage.fasta ${BASE_DIR}/input/
# Copy scripts
cp calculate_gibbs.py ${BASE_DIR}/scripts/
chmod +x ${BASE_DIR}/scripts/calculate_gibbs.py
echo "Directory structure set up at ${BASE_DIR}"
echo "FASTA files and scripts copied"