Opened 5 years ago

Closed 3 years ago

#4162 closed defect (fixed)

Excessive mmCIF warning output

Reported by: Eric Pettersen Owned by: Greg Couch
Priority: moderate Milestone:
Component: Logging Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

If you take the PDB from #4161 and save it as an mmCIF and then open that mmCIF in Chimera, you get hundreds of lines of complaints about hydrogen names not being found in residue templates, only a few of which can be automatically coalesced by the collator. Programatically generated structure files are notorious for poor hydrogen naming so this behavior will need to be improved, either by producing more succinct output directly, or by issuing the warnings in an order that the collator can do a better job of collapsing.

I've attached the mmCIF generated from #4161

Attachments (1)

non-planar.cif​ (2.0 MB ) - added by Eric Pettersen 5 years ago.

Change History (2)

by Eric Pettersen, 5 years ago

Attachment: non-planar.cif​ added

comment:1 by Greg Couch, 3 years ago

Resolution: → fixed
Status: assigned → closed

Limited to 10 warnings about hydrogens missing in a residue template. The last one saying that there are too many to complain about.

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