Some questions about running inference

[wangleshuyang]

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When I use openfold to infer proteins, some of them can be inferred, but some of them will report errors. The reason for the error is probably: the template name searched out is outdated, and there is no outdated protein cif file in the template_mmcif_dir directory.

Below is an example of an error protein ： 5IZB_A Traceback (most recent call last): File "run_pretrained_openfold.py", line 253, in main(args) File "run_pretrained_openfold.py", line 118, in main fasta_path=fasta_path, alignment_dir=local_alignment_dir File "/home/jsr/openfold/openfold/data/data_pipeline.py", line 420, in process_fasta self.template_featurizer, File "/home/jsr/openfold/openfold/data/data_pipeline.py", line 55, in make_template_features hits=hits_cat, File "/home/jsr/openfold/openfold/data/templates.py", line 1059, in get_templates kalign_binary_path=self._kalign_binary_path, File "/home/jsr/openfold/openfold/data/templates.py", line 827, in _process_single_hit with open(cif_path, "r") as cif_file: FileNotFoundError: [Errno 2] No such file or directory: '/public/database/alphafold2_database/mmcif/mmcif_files/4zai.cif'

[gahdritz]

See #4