#133 closed defect (fixed)
CONECT record from alternate atom to itself
Reported by: | Tom Goddard | Owned by: | Eric Pettersen |
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Priority: | major | Milestone: | |
Component: | Core | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | chimera |
Description
Reading the attached PDB file that was written by Chimera 1.10.2 generates many CONECT record errors and then only reads 4 atoms instead of the 84 present in the structure. Chimera 1 reads this same file with no errors.
Summary of problems reading PDB file:
Warnings:
CONECT record from alternate atom to itself: 1
CONECT record from alternate atom to itself: 2
CONECT record from alternate atom to itself: 2
CONECT record from alternate atom to itself: 3
CONECT record from alternate atom to itself: 3
47 messages similar to the above omitted
Attachments (2)
Change History (7)
by , 10 years ago
Attachment: | carpaine.pdb added |
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by , 10 years ago
Attachment: | carpaine.mol2 added |
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comment:1 by , 10 years ago
comment:2 by , 10 years ago
After removing all the CONECT records from the PDB it still only opens 4 atoms. Looking at the file all the atoms have names H, C, N or O with many atoms having the same name in the same residue. Apparently Chimera 2 is only getting one atom for each name.
comment:3 by , 10 years ago
Status: | new → accepted |
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comment:4 by , 10 years ago
Resolution: | → fixed |
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Status: | accepted → closed |
The PDBio code was using the wrong check for whether the alt loc was specified (was using null, should have been using space)
comment:5 by , 10 years ago
Component: | Molecular Data → Core |
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The PDB file was written by opening the attached mol2 file in Chimera 1 and using File / Save PDB....