Fixed inference script in multimer mode #348
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dingquanyu
commented
Sep 19, 2023
dingquanyu
commented
- Added uniprot data base path for multimer mode otherwise it crashes the programme
- Fixed local_alignment_dir for multimer otherwise it reports alignment not found error even though alignments are already calculated.
run_pretrained_openfold.py
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| @@ -71,7 +71,10 @@ def precompute_alignments(tags, seqs, alignment_dir, args, is_multimer): | |||
| fp.write(f">{tag}\n{seq}") | |||
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| if is_multimer: | |||
| local_alignment_dir = alignment_dir | |||
| local_alignment_dir = os.path.join( | |||
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Ah yeah you're right, I've only run this with precomputed alignments. However, can you remove this conditional entirely and just make one statement since they are the same for both conditions
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Sure I've updated this part @christinaflo
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