From 28cc836e9ce1d5c8ed1862b9b50003c037d87509 Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 10 Nov 2021 08:50:19 +0100
Subject: [PATCH] Fixed mmCIF file path
---
run_af2/src/run_af2/run_singularity.py | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/run_af2/src/run_af2/run_singularity.py b/run_af2/src/run_af2/run_singularity.py
index 3756d54..0e35bac 100644
--- a/run_af2/src/run_af2/run_singularity.py
+++ b/run_af2/src/run_af2/run_singularity.py
@@ -218,7 +218,8 @@ def run_af2_singularity_image( # pylint: disable=too-many-arguments
+ "pdb_seqres/pdb_seqres.txt",
# template_mmcif_dir="/scicore/data/managed/PDB/latest/data/structures/all/"
# + "mmcif_files/",
- template_mmcif_dir="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif",
+ template_mmcif_dir="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/"
+ + "mmcif_files/",
# obsolete_pdbs_path="/scicore/data/managed/PDB/latest/data/status/"
# + "obsolete.dat",
obsolete_pdbs_path="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/"
--
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