From e06a1b35912113efce31e2fd62d4b7defb679e28 Mon Sep 17 00:00:00 2001 From: Andrius Merkys Date: Mon, 3 Oct 2022 12:50:55 +0300 Subject: [PATCH] Working around https://github.com/oxpig/ANARCI/issues/43. --- snakefiles/antibody-complexes.smk | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/snakefiles/antibody-complexes.smk b/snakefiles/antibody-complexes.smk index b8302c1..7718939 100644 --- a/snakefiles/antibody-complexes.smk +++ b/snakefiles/antibody-complexes.smk @@ -18,7 +18,7 @@ rule extract_complex: shell: """ mkdir --parents $(dirname {output}) - COMPLEX=$(PYTHONPATH=. bin/contact-graph {input.vorocontacts} --pdb {input.pdb} --output-complexes --most-contacts) + COMPLEX=$(PYTHONPATH=. bin/contact-graph {input.vorocontacts} --pdb {input.pdb} --output-complexes --most-contacts | grep -v ^Limiting) bin/pdb_select --chain $(echo $COMPLEX | cut -c 1) --chain $(echo $COMPLEX | cut -c 2) --chain $(echo $COMPLEX | cut -c 3) {input.pdb} \ | PYTHONPATH=. bin/pdb_rename_chains --map $(echo $COMPLEX | cut -c 1):A --map $(echo $COMPLEX | cut -c 2):H --map $(echo $COMPLEX | cut -c 3):L > {output} echo COMPLX $COMPLEX >> {output}