Merge branch 'main' into modelcif_output

.gitignore

+.vscode/
+__pycache__/
+*.egg-info
+build
+dist
+
+# files from script downloads
+data
+openfold/resources/
+tests/test_data/

README.md

@@ -246,7 +246,7 @@ python3 scripts/precompute_alignments.py mmcif_dir/ alignment_dir/ \
     --pdb70_database_path data/pdb70/pdb70 \
     --uniclust30_database_path data/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
     --bfd_database_path data/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
-    --cpus 16 \
+    --cpus_per_task 16 \
     --jackhmmer_binary_path lib/conda/envs/openfold_venv/bin/jackhmmer \
     --hhblits_binary_path lib/conda/envs/openfold_venv/bin/hhblits \
     --hhsearch_binary_path lib/conda/envs/openfold_venv/bin/hhsearch \