Files
AlphaPulldown/conda/bin/mamba
Dima fc41c1a5eb AF3 templates: fix mmCIF parsing by removing synthetic _entity_poly_seq and mapping only present residues
- Strip _entity_poly_seq from generated template mmCIF so AF3 reconstructs _pdbx_poly_seq_scheme from _atom_site, avoiding UNK/gap mismatches
- Build query_to_template_map using only residues with atoms to prevent OOB indexing in template features
- Add --debug_templates flag to optionally dump generated template mmCIFs into templates_debug/
- Keep templates enabled; test test__chopped_dimer now passes
2025-08-12 14:04:33 +02:00

12 lines
247 B
Python
Executable File

#!/home/dmolodenskiy/AlphaPulldown/conda/bin/python
# -*- coding: utf-8 -*-
import re
import sys
from mamba.mamba import main
if __name__ == '__main__':
sys.argv[0] = re.sub(r'(-script\.pyw?|\.exe)?$', '', sys.argv[0])
sys.exit(main())