From a2b90ec305dc22fb73018f823deec08b60ee03ce Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 9 Aug 2023 16:29:20 +0200
Subject: [PATCH] Updated template_mmcif_dir to point to scicore storage
---
run_af2/src/run_af2/run_singularity.py | 12 ++++++------
1 file changed, 6 insertions(+), 6 deletions(-)
diff --git a/run_af2/src/run_af2/run_singularity.py b/run_af2/src/run_af2/run_singularity.py
index efd3efa..3c6115a 100644
--- a/run_af2/src/run_af2/run_singularity.py
+++ b/run_af2/src/run_af2/run_singularity.py
@@ -239,14 +239,14 @@ def run_af2_singularity_image( # pylint: disable=too-many-arguments
pdb70_database_path="/scicore/data/managed/PDB70/frozen_210805T142857/pdb70",
pdb_seqres_database_path="/scicore/home/schwede/GROUP/alphafold_data/"
+ "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/data/managed/PDB/latest/data/structures/all/"
+ "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/"
+ obsolete_pdbs_path="/scicore/data/managed/PDB/latest/data/status/"
+ "obsolete.dat",
+ # template_mmcif_dir="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/"
+ # + "mmcif_files/",
+ # obsolete_pdbs_path="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/"
+ # + "obsolete.dat",
):
"""Run the AlphaFold 2 Singularity image on host.
--
GitLab