mirror of
https://github.com/KosinskiLab/AlphaPulldown.git
synced 2026-06-04 14:14:24 +08:00
fc41c1a5eb
- 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
1.1 KiB
Executable File
1.1 KiB
Executable File
| 1 | jobs | iptm_ptm | iptm | pDockQ/mpDockQ | average_interface_pae | average_interface_plddt | binding_energy | interface | Num_intf_residues | Polar | Hydrophobic | Charged | contact_pairs | sc | hb | sb | int_solv_en | int_area | pi_score |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | TEST_and_TEST_and_TEST | 0.09161740784114437 | 0.08377959013960515 | 1.0412359506547133 | 22.18181003584226 | 26.24696552424502 | -2791.6307034091355 | B_C | 128 | 0.313 | 0.266 | 0.203 | 311 | -0.1 | 54 | 1 | -29.56 | 3137.7 | 0.84 |
| 3 | TEST_and_TEST_and_TEST | 0.09161740784114437 | 0.08377959013960515 | 1.0412359506547133 | 22.04758064516131 | 26.38746819979306 | -2791.6307034091355 | B_D | 121 | 0.306 | 0.248 | 0.215 | 292 | -0.074 | 45 | 1 | -25.7 | 2952.73 | 0.83 |
| 4 | TEST_and_TEST_and_TEST | 0.09161740784114437 | 0.08377959013960515 | 1.0412359506547133 | 22.01209386281587 | 26.048184313630387 | -4145.3558803465485 | C_D | 121 | 0.306 | 0.248 | 0.215 | 303 | -0.114 | 51 | 3 | -26.71 | 2962.97 | 0.84 |
| 5 | TEST_and_A0A075B6L2_1-10_2-5_3-12 | 0.103099058355066 | 0.0630861297249794 | 0.0 | No interface residues detected | No interface residues detected | None | B_C | |||||||||||
| 6 | TEST_and_TEST | 0.061528983957974445 | 0.05123987793922424 | 0.02954929206105133 | 23.81369346733668 | 32.230952380952374 | -2127.2260633214273 | B_C | 84 | 0.25 | 0.274 | 0.286 | 132 | 0.127 | 22 | 0 | -19.39 | 2047.56 | 0.39 |