structure validation everything that can go wrong, will go wrong, especially with things as...
Post on 18-Dec-2015
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Structure validationStructure validation
Everything that can go wrong, will Everything that can go wrong, will go wrong, especially with things as go wrong, especially with things as complicated as protein structures.complicated as protein structures.
Why ?Why ?
Why does a sane (?) human being spend fourteen years to search for millions of errors in the PDB?
Because:Because:
Everything we know about proteins comes from PDB files.
If a template is wrong the model will be wrong.
Errors become less dangerous when you know about them.
What do we check?What do we check?
Administrative errors.Crystal-specific errors.NMR-specific errors.Really wrong things.Improbable things.Things worth looking at.Ad hoc things.
ConclusionsConclusions
Everything that could go wrong has gone wrong.Errors are on a ‘sliding scale’.Error detection can detect a lot, but surely not everything (yet).
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