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Commit 671efc23 authored by Bienchen's avatar Bienchen
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Fixed path to new PDB obsolete.dat

parent 7fb5bd3b
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run_af2/src/run_af2/run_singularity.py
+ 3
− 1
View file @ 671efc23
...@@ -219,7 +219,9 @@ def run_af2_singularity_image( # pylint: disable=too-many-arguments ...@@ -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/" # template_mmcif_dir="/scicore/data/managed/PDB/latest/data/structures/all/"
# + "mmcif_files/", # + "mmcif_files/",
template_mmcif_dir="/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif", 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", + "obsolete.dat",
): ):
"""Run the AlphaFold 2 Singularity image on host. """Run the AlphaFold 2 Singularity image on host.
......
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