22 lines
521 B
Bash
Executable File
22 lines
521 B
Bash
Executable File
#!/usr/bin/env bash
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out_dir="$(basename ${0})"
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out_dir="${out_dir%%.*}"
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# create array of system names
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ARR1=()
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for i in 1-concat/individual/*/*/ ; do
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ARR1+=($(basename ${i}))
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done
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# make directory and create ndx files
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mkdir -p "${out_dir}"
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while read system; do
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ARR2=("${out_dir}/individual/*/${system}/${system}-*.pdb")
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ARR3=("${out_dir}/individual/*/${system}/${system}.ndx")
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gmx make_ndx -f ${ARR2[1]} -n ${ARR3[1]} -o "${out_dir}/${system}.ndx"
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done < <(echo ${ARR1[@]} | tr " " "\n" | sort -u)
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