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Commit 4d9a4bc2 authored by Geoffrey Yu's avatar Geoffrey Yu
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update data_pipeline

parent 47bb797c
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openfold/data/data_pipeline.py
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...@@ -451,6 +451,7 @@ class AlignmentRunner: ...@@ -451,6 +451,7 @@ class AlignmentRunner:
self._uniprot_msa_runner = None self._uniprot_msa_runner = None
if(uniprot_database_path is not None): if(uniprot_database_path is not None):
print("will create self.jackhmmer_uniprot_runner")
self.jackhmmer_uniprot_runner = jackhmmer.Jackhmmer( self.jackhmmer_uniprot_runner = jackhmmer.Jackhmmer(
binary_path=jackhmmer_binary_path, binary_path=jackhmmer_binary_path,
database_path=uniprot_database_path database_path=uniprot_database_path
...@@ -943,6 +944,7 @@ class DataPipeline: ...@@ -943,6 +944,7 @@ class DataPipeline:
chain_id = chain.id chain_id = chain.id
mmcif_feats = make_mmcif_features(mmcif, chain_id) mmcif_feats = make_mmcif_features(mmcif, chain_id)
print(f"mmcif_feats keys: {mmcif_feats.keys()}")
input_sequence = mmcif.chain_to_seqres[chain_id] input_sequence = mmcif.chain_to_seqres[chain_id]
hits = self._parse_template_hits( hits = self._parse_template_hits(
......
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