Pull Request №356 RosettaCommons/rosetta/main ← roccomoretti/rosetta/better_mmcif_loading
Merge: 029c6a159b896477003a14f78f472d4cd2cead46←928f0241154573f92319b3cd94d638f5ba6bb537
Better debugging on CIF file read in.
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Merge commit message:
Better debugging on CIF file read in.
Issue #355 indicates that errors in mmCIF parsing are not well handled. This commit attempts to fix that in two ways.
The first is to add a 'from extension' fallback if the from-contents parser doesn't like it.
We assume that if you're naming it xyz.pdb, you want it parsed as a PDB.
The second is to report the diagnostics report for mmCIF files -- this is what's being used to autodetect mmCIF format,
so better transparency of what the failure issue is would be warranted.