Created
February 10, 2023 11:07
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bash script to split multimodel pdb file into separate files
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# split-pdb-models.sh model1_1.pdb | |
2.3.4.5.6.7.8.9.10.11.12.13.14.15.16.17.18.19.20.21.22.23.24.25.26.27.28.29.30.31.32.33.34.35.36.37.38.39.40.41.42.43.44.45.46.47.48.49.50.51.52.53.54.55.56.57.58.59.60.61.62.63.64.65.66.67.68.69.70.71.72.73.74.75.76.77.78.79.80.81.82.83.84.85.86.87.88.89.90.91.92.93.94.95.96.97.98.99.100.101.102 | |
# ls | |
model1_1_model_100.pdb model1_1_model_18.pdb model1_1_model_28.pdb model1_1_model_38.pdb model1_1_model_48.pdb model1_1_model_58.pdb model1_1_model_68.pdb model1_1_model_78.pdb model1_1_model_88.pdb model1_1_model_98.pdb | |
model1_1_model_101.pdb model1_1_model_19.pdb model1_1_model_29.pdb model1_1_model_39.pdb model1_1_model_49.pdb model1_1_model_59.pdb model1_1_model_69.pdb model1_1_model_79.pdb model1_1_model_89.pdb model1_1_model_99.pdb | |
model1_1_model_102.pdb model1_1_model_1.pdb model1_1_model_2.pdb model1_1_model_3.pdb model1_1_model_4.pdb model1_1_model_5.pdb model1_1_model_6.pdb model1_1_model_7.pdb model1_1_model_8.pdb model1_1_model_9.pdb | |
model1_1_model_10.pdb model1_1_model_20.pdb model1_1_model_30.pdb model1_1_model_40.pdb model1_1_model_50.pdb model1_1_model_60.pdb model1_1_model_70.pdb model1_1_model_80.pdb model1_1_model_90.pdb model1_1.pdb | |
model1_1_model_11.pdb model1_1_model_21.pdb model1_1_model_31.pdb model1_1_model_41.pdb model1_1_model_51.pdb model1_1_model_61.pdb model1_1_model_71.pdb model1_1_model_81.pdb model1_1_model_91.pdb separate_models.sh | |
model1_1_model_12.pdb model1_1_model_22.pdb model1_1_model_32.pdb model1_1_model_42.pdb model1_1_model_52.pdb |
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#!/bin/bash | |
# usage: split-pdb-models.sh multimodel.pdb | |
infile="$1" | |
filename=$(basename -- "$infile") | |
extension="${filename##*.}" | |
base="${filename%.*}" | |
i=1 | |
while IFS= read -r line; do | |
printf '%s\n' "$line" >> ${base}_model_${i}.pdb | |
[[ ${line[0]} == ENDMDL ]] && ((i++)) && echo -ne "$i." | |
done < "$infile" | |
echo "" |
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