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Describe the bug
When running pdb_tidy on a PDB in which the MODEL record is incorrectly formatted (wrong position of the model identifier) it is not corrected. We identified this on haddocking/haddock3#221
$ less incorrect_model.pdb
MODEL 1
ATOM 1 N ASP 1 -0.610 -1.825 -0.630 1.00 15.00 B
ATOM 2 HN ASP 1 -0.690 -2.310 -1.478 1.00 15.00 B
ATOM 3 CA ASP 1 -0.051 -0.476 -0.630 1.00 15.00 B
ATOM 4 CB ASP 1 -0.586 0.337 0.582 1.00 15.00 B
ATOM 5 CG ASP 1 -0.126 1.802 0.652 1.00 15.00 B
ATOM 6 OD1 ASP 1 -0.007 2.453 -0.406 1.00 15.00 B
ATOM 7 OD2 ASP 1 0.165 2.283 1.767 1.00 15.00 B
ATOM 8 C ASP 1 1.360 -0.472 -0.590 1.00 15.00 B
ATOM 9 O ASP 1 2.096 -1.275 -1.374 1.00 15.00 B
$ pdb_tidy incorrect_model.pdb
MODEL 1
ATOM 1 N ASP 1 -0.610 -1.825 -0.630 1.00 15.00 B
ATOM 2 HN ASP 1 -0.690 -2.310 -1.478 1.00 15.00 B
ATOM 3 CA ASP 1 -0.051 -0.476 -0.630 1.00 15.00 B
ATOM 4 CB ASP 1 -0.586 0.337 0.582 1.00 15.00 B
ATOM 5 CG ASP 1 -0.126 1.802 0.652 1.00 15.00 B
ATOM 6 OD1 ASP 1 -0.007 2.453 -0.406 1.00 15.00 B
ATOM 7 OD2 ASP 1 0.165 2.283 1.767 1.00 15.00 B
ATOM 8 C ASP 1 1.360 -0.472 -0.590 1.00 15.00 B
ATOM 9 O ASP 1 2.096 -1.275 -1.374 1.00 15.00 B
Expected behavior
MODEL 1
be changed to
MODEL 1
Desktop (please complete the following information):
$ pip show pdb-tools
Name: pdb-tools
Version: 2.4.1
(...)
The text was updated successfully, but these errors were encountered:
Describe the bug
When running
pdb_tidy
on a PDB in which theMODEL
record is incorrectly formatted (wrong position of the model identifier) it is not corrected. We identified this on haddocking/haddock3#221To Reproduce
Using this PDB
Expected behavior
be changed to
Desktop (please complete the following information):
The text was updated successfully, but these errors were encountered: