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Merge pull request #348 from dingquanyu/fix-inference-script 

Fixed inference script in multimer mode
This commit is contained in:
Christina Floristean 2023-09-25 17:40:04 -04:00 committed by GitHub
parent 4208a76122 7f12c2a7fc
commit 8820875be6
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 3 additions and 4 deletions
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7
run_pretrained_openfold.py
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@ -70,13 +70,11 @@ def precompute_alignments(tags, seqs, alignment_dir, args, is_multimer):
with open(tmp_fasta_path, "w") as fp:
fp.write(f">{tag}\n{seq}")
if is_multimer:
local_alignment_dir = alignment_dir
else:
local_alignment_dir = os.path.join(
local_alignment_dir = os.path.join(
alignment_dir,
os.path.join(alignment_dir, tag),
)
if(args.use_precomputed_alignments is None and not os.path.isdir(local_alignment_dir)):
logger.info(f"Generating alignments for {tag}...")
@ -90,6 +88,7 @@ def precompute_alignments(tags, seqs, alignment_dir, args, is_multimer):
bfd_database_path=args.bfd_database_path,
uniref30_database_path=args.uniref30_database_path,
uniclust30_database_path=args.uniclust30_database_path,
uniprot_database_path=args.uniprot_database_path,
no_cpus=args.cpus,
)
alignment_runner.run(