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fae1173 | 1 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 | #!/bin/bash
run_protein_mpnn() {
python ../ProteinMPNN/protein_mpnn_run.py \
--path_to_fasta "$1" \
--score_only 1 \
--save_score 1 \
--pdb_path_chains "$2" \
--out_folder "$3" \
--pdb_path "$4"
}
# G6 Light Chain
run_protein_mpnn \
"data/ab_mutagenesis_expts/g6/g6_2fjg_lc_lib.fasta" \
"L" \
"output/ab_mutagenesis_expts/g6/proteinMpnnLC" \
"data/ab_mutagenesis_expts/g6/2fjg_vlh_fvar.pdb"
# G6 Heavy Chain
run_protein_mpnn \
"data/ab_mutagenesis_expts/g6/g6_2fjg_hc_lib.fasta" \
"H" \
"output/ab_mutagenesis_expts/g6/proteinMpnnHC" \
"data/ab_mutagenesis_expts/g6/2fjg_vlh_fvar.pdb"
# CR6261 Heavy Chain
run_protein_mpnn \
"data/ab_mutagenesis_expts/cr6261/cr6261_3gbn_hc_lib.fasta" \
"H" \
"output/ab_mutagenesis_expts/cr6261/mpnn" \
"data/ab_mutagenesis_expts/cr6261/3gbn_ablh_fvar.pdb"
# CR9114 Heavy Chain
run_protein_mpnn \
"data/ab_mutagenesis_expts/cr9114/cr9114_4fqi_hc_lib.fasta" \
"H" \
"output/ab_mutagenesis_expts/cr9114/mpnn" \
"data/ab_mutagenesis_expts/cr9114/4fqi_ablh_fvar.pdb" |