30 lines
560 B
Bash
Executable File
30 lines
560 B
Bash
Executable File
#!/bin/bash
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# 用法: ./clean_vina_jobs.sh 12
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N=${1:-12}
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# 删除 vina_docking{1..N}_cpu_job_*.out
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for i in $(seq 1 $N); do
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rm -f vina_docking${i}_cpu_job_*.out
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done
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# 删除 submit_vina{1..N}.sh
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for i in $(seq 1 $N); do
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rm -f submit_vina${i}.sh
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done
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# 删除 ligand/pdbqt{1..N} 目录
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for i in $(seq 1 $N); do
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rm -rf ligand/pdbqt${i}
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done
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# 删除 result/batch_docking{1..N}.log
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for i in $(seq 1 $N); do
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rm -f result/batch_docking${i}.log
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done
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# 删除 result/poses{1..N} 目录
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for i in $(seq 1 $N); do
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rm -rf result/poses${i}
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done
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