Opened 2 years ago

Last modified 2 years ago

#15011 assigned defect

Alt locs in 7b6w not coalesced

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

Description

In 7b6w residue T0B, the alternate locations are separate atoms, instead of different locations of the same atom.

Change History (5)

comment:1 by Eric Pettersen, 2 years ago

They are also different residue numbers!

comment:2 by Greg Couch, 2 years ago

So what's the right solution? Complain to the PDB? If they are in different residues, then they're not the same atom.

comment:3 by Eric Pettersen, 2 years ago

If it is a legitimate problem in the file, then yeah complain away! :-)

comment:4 by Greg Couch, 2 years ago

Elaine, my inclination is for you to report this to the PDB. Another solution would be to make the altloc code "smarter". Not sure what the exact logic should be. But when the AltLoc Explorer is asked to "Set all to: A", it could check to see if there are any atoms with a different altloc, and undisplay them.

comment:5 by Elaine Meng, 2 years ago 

I thought you (Greg) would report it since you can talk knowledgably about mmCIF and I cannot.  However, I'll do it and hope for the best.
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