diff --git a/run_af2/src/run_af2/run_singularity.py b/run_af2/src/run_af2/run_singularity.py index 837ae2bb9ba33ddf274ab8c273bd508652936655..3756d549dd94c886b83e25922760cc37bc38ef78 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.