fix the align_mask bug when calculating the prmsd_loss

[yaowensnf]

The shape of atom-wise align_mask is (batch, seq_len*4), need to multiply 4 to the indexes when masking out residues.

[qiz218591]

Hi, I am getting error, this
ValueError Traceback (most recent call last)
c:\Users\s4735779\Documents\GitHub\IgFold\IgFold.ipynb Cell 6 line 1
10 igfold = IgFoldRunner(num_models=num_models)
12 pred_pdb = os.path.join(pred_dir, f"{name}.pdb")
---> 13 pred = igfold.fold(
14 pred_pdb,
15 sequences=sequences,
16 do_refine=do_refine,
17 use_openmm=True,
18 do_renum=do_renum,
19 )
20 show_pdb(pred_pdb, len(sequences), bb_sticks=False, sc_sticks=True, color="rainbow")

File c:\Users\s4735779\Documents\GitHub\IgFold\igfold\IgFoldRunner.py:106, in IgFoldRunner.fold(self, pdb_file, fasta_file, sequences, template_pdb, ignore_cdrs, ignore_chain, skip_pdb, do_refine, use_openmm, do_renum, truncate_sequences)
91 """
92 Predict antibody structure with IgFold.
93
(...)
103 :param truncate_sequences: Truncate sequences with AbNumber.
104 """
105 start_time = time()
--> 106 model_out = fold(
107 self.antiberty,
108 self.models,
...
(...)
228 do_renum=do_renum,
229 )

ValueError: min() arg is an empty sequence
Output is truncated. View as a scrollable element or open in a text editor. Adjust cell output settings...

why?? please solve