Opened 8 years ago

Last modified 8 years ago

#809 closed defect

mmCIF CA trace not quite correct — at Version 1

Reported by: Eric Pettersen Owned by: Greg Couch
Priority: blocker Milestone: 0.5
Component: Input/Output Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description (last modified by Eric Pettersen)

For structures that change from full-atomic to chain-trace at some point, in mmCIF the switch to using "missing structure" pseudobonds occurs one residue too late. For example in each chain of 1grl, it switches to CA-only starting at residue 303, which means that the 302->303 cross residue bond needs to be a missing structure pseudobond, but it isn't.

In a possibly related problem, the mmCIF reader for 4bml, makes some CA-CA bonds covalent and the rest as missing structure (e.g. /A:153-154 is covalent).

Change History (1)

comment:1 by Eric Pettersen, 8 years ago

Description: modified (diff)
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