From f01cd4025b45bbd1c655b23e1ccae394ed48d186 Mon Sep 17 00:00:00 2001 From: Atomuboot <100709135+Atomuboot@users.noreply.github.com> Date: Fri, 17 Nov 2023 15:01:35 +0800 Subject: [PATCH 1/2] Update run_docker.py --- docker/run_docker.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docker/run_docker.py b/docker/run_docker.py index 155d8fe2c..6ff743b82 100644 --- a/docker/run_docker.py +++ b/docker/run_docker.py @@ -149,7 +149,7 @@ def main(argv): # Path to the Uniref30 database for use by HHblits. uniref30_database_path = os.path.join( - FLAGS.data_dir, 'uniref30', 'UniRef30_2021_03') + FLAGS.data_dir, 'uniref30', 'UniRef30_2023_02') # Path to the PDB70 database for use by HHsearch. pdb70_database_path = os.path.join(FLAGS.data_dir, 'pdb70', 'pdb70') From 42b199b949c3a1812265ed6dfae26d5897db0aa3 Mon Sep 17 00:00:00 2001 From: Atomuboot <100709135+Atomuboot@users.noreply.github.com> Date: Fri, 17 Nov 2023 15:07:40 +0800 Subject: [PATCH 2/2] Update download_uniref30.sh to fix the problem shown in https://github.com/google-deepmind/alphafold/issues/810 the 2021_03 version of UniRef30 will match too much protein so that even a protein with residues lower than 500 will fail to fold --- scripts/download_uniref30.sh | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/scripts/download_uniref30.sh b/scripts/download_uniref30.sh index f0abb5372..d897b3b5c 100755 --- a/scripts/download_uniref30.sh +++ b/scripts/download_uniref30.sh @@ -33,7 +33,8 @@ DOWNLOAD_DIR="$1" ROOT_DIR="${DOWNLOAD_DIR}/uniref30" # Mirror of: # https://wwwuser.gwdg.de/~compbiol/uniclust/2021_03/UniRef30_2021_03.tar.gz -SOURCE_URL="https://storage.googleapis.com/alphafold-databases/v2.3/UniRef30_2021_03.tar.gz" +# SOURCE_URL="https://storage.googleapis.com/alphafold-databases/v2.3/UniRef30_2021_03.tar.gz" +SOURCE_URL="https://wwwuser.gwdg.de/~compbiol/uniclust/2023_02/UniRef30_2023_02_hhsuite.tar.gz BASENAME=$(basename "${SOURCE_URL}") mkdir --parents "${ROOT_DIR}"