From 671efc23bdbacb75178e2e732c35cea64a48b19c Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Tue, 9 Nov 2021 08:38:17 +0100
Subject: [PATCH] Fixed path to new PDB obsolete.dat
---
run_af2/src/run_af2/run_singularity.py | 4 +++-
1 file changed, 3 insertions(+), 1 deletion(-)
diff --git a/run_af2/src/run_af2/run_singularity.py b/run_af2/src/run_af2/run_singularity.py
index 837ae2b..3756d54 100644
--- a/run_af2/src/run_af2/run_singularity.py
+++ b/run_af2/src/run_af2/run_singularity.py
@@ -219,7 +219,9 @@ def run_af2_singularity_image( # pylint: disable=too-many-arguments
# template_mmcif_dir="/scicore/data/managed/PDB/latest/data/structures/all/"
# + "mmcif_files/",
template_mmcif_dir="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif",
- obsolete_pdbs_path="/scicore/data/managed/PDB/latest/data/status/"
+ # obsolete_pdbs_path="/scicore/data/managed/PDB/latest/data/status/"
+ # + "obsolete.dat",
+ obsolete_pdbs_path="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/"
+ "obsolete.dat",
):
"""Run the AlphaFold 2 Singularity image on host.
--
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