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