salilab / IHMValidation

Validation software for integrative models deposited to PDB
MIT License
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Inconsistent model labels in the molprobity report #73

Closed aozalevsky closed 3 months ago

aozalevsky commented 4 months ago

From Monica:

In the full validation pdf report for 2-WGSG, in the Too-close contacts section the first table is fine (shows models 1-10 as expected), but the extended table after the sentence "All 374 close contacts within the same asymmetric unit are listed below, sorted by their clash magnitude" has many rows that refer to model 0 instead of model 10. Is this a table formatting issue? You can see it starting on page 21 here:

<...>

I also see the same thing on pages 23-25 in the corresponding validation pdf report on the public site:

https://pdb-dev.wwpdb.org/Validation/PDBDEV_00000185/pdf/PDBDEV_00000185.cif.pdf

For both the test site and the public site, the Torsion angles: Protein backbone section which starts on page 38 and the Torsion angles: Protein sidechains section which starts on page 46 look fine.

Indeed, the models in the table seem to be renumbered from 0 instead of 1.

aozalevsky commented 3 months ago

c26fc1b also fixed this issue.