Opened 10 years ago

Closed 10 years ago

Last modified 7 years ago

#275 closed enhancement (fixed)

mmCIF reader can produce NaN atom coords with no error

Reported by: Tom Goddard Owned by: Greg Couch
Priority: minor Milestone:
Component: Input/Output Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

If an mmCIF model has ? for _atom_site.Cartn_x values then the reader gives no error and returns atoms with NaN coordinates which subsequently give errors when you try to do anything (e.g. surface) such a model. Probably this is rare -- it was an mmCIF file written by Coot. Maybe we should check for that and raise an appropriate error.

Change History (2)

comment:1 by Greg Couch, 10 years ago

Resolution: → fixed
Status: new → closed

Warn about and skip atoms with unspecified coordinates in mmCIF files.

comment:2 by Eric Pettersen, 7 years ago

Component: mmCIF Reader/Writer → Input/Output

reducing # of categories, so lumping into I/O category

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