diff --git a/run_af2/src/run_af2/run_singularity.py b/run_af2/src/run_af2/run_singularity.py index 3756d549dd94c886b83e25922760cc37bc38ef78..0e35bac2b10116eab6fa467d7f3cb59b1568d796 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/"