mirror of
https://github.com/aqlaboratory/openfold.git
synced 2026-06-04 12:44:26 +08:00
updated script
This commit is contained in:
@@ -9,8 +9,8 @@
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# output_dir:
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# The directory in which to construct the reformatted data
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if [[ $# != 2 ]]; then
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echo "usage: ./flatten_roda.sh <roda_dir> <output_dir>"
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if [ "$#" -ne 2 ]; then
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echo "Usage: ./flatten_roda.sh <roda_dir> <output_dir>"
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exit 1
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fi
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@@ -23,25 +23,36 @@ ALIGNMENT_DIR="${OUTPUT_DIR}/alignments"
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mkdir -p "${DATA_DIR}"
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mkdir -p "${ALIGNMENT_DIR}"
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for chain_dir in $(ls "${RODA_DIR}"); do
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CHAIN_DIR_PATH="${RODA_DIR}/${chain_dir}"
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for subdir in $(ls "${CHAIN_DIR_PATH}"); do
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if [[ ! -d "$subdir" ]]; then
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echo "$subdir is not directory"
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for chain_dir in "${RODA_DIR}"/*; do
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if [ ! -d "$chain_dir" ]; then
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continue
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fi
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chain_name=$(basename "$chain_dir")
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for subdir in "$chain_dir"/*; do
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if [ ! -d "$subdir" ]; then
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echo "$subdir is not a directory"
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continue
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elif [[ -z $(ls "${subdir}")]]; then
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fi
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if [ -z "$(ls -A "$subdir")" ]; then
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continue
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elif [[ $subdir = "pdb" ]] || [[ $subdir = "cif" ]]; then
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mv "${CHAIN_DIR_PATH}/${subdir}"/* "${DATA_DIR}"
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fi
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subdir_name=$(basename "$subdir")
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if [ "$subdir_name" = "pdb" ] || [ "$subdir_name" = "cif" ]; then
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mv "$subdir"/* "${DATA_DIR}/"
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else
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CHAIN_ALIGNMENT_DIR="${ALIGNMENT_DIR}/${chain_dir}"
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CHAIN_ALIGNMENT_DIR="${ALIGNMENT_DIR}/${chain_name}"
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mkdir -p "${CHAIN_ALIGNMENT_DIR}"
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mv "${CHAIN_DIR_PATH}/${subdir}"/* "${CHAIN_ALIGNMENT_DIR}"
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mv "$subdir"/* "${CHAIN_ALIGNMENT_DIR}/"
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fi
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done
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done
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NO_DATA_FILES=$(find "${DATA_DIR}" -type f | wc -l)
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if [[ $NO_DATA_FILES = 0 ]]; then
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rm -rf ${DATA_DIR}
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fi
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if [ "$NO_DATA_FILES" -eq 0 ]; then
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rm -rf "${DATA_DIR}"
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fi
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