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#809 closed defect (fixed)
mmCIF CA trace not quite correct
| 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 )
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 (3)
comment:1 by , 8 years ago
| Description: | modified (diff) |
|---|
comment:2 by , 8 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
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Changed missing structure test for adjacent residues from gap or (not polymer atoms and not reasonable bond length) to gap or not polymer atoms.