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IDProjectCategoryView StatusDate SubmittedLast Update
0000217Rosetta[All Projects] Input Handlingpublic2013-03-16 11:252017-08-07 19:41
Reportersmlewis 
Assigned Toamw579 
PrioritynormalSeverityminorReproducibilityalways
StatusclosedResolutionfixed 
PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000217: Should we include mmCIF support?
DescriptionMany of the other major protein structure programs are moving towards mmCIF support (more the crystallographers than the modeling folks, from what I can tell. We should consider the same. We may be able to license / borrow a good mmCIF reader that coughs up something fairly well defined, and then just convert that to a Pose.

http://mmcif.rcsb.org/ [^]
TagsNo tags attached.
Application(s) AffectedN/A
Command Line UsedN/A
Developer OptionsFeature Request
Fixed in SVN Versionn/a
Attached Files

- Relationships
related to 0000037closedamw579 Rosetta doesn't read hydrogens in from PDBs with reasonable atom names 
related to 0000109closed PDB chain output for large structures doesn't follow PDB convention 
related to 0000110new bad chain ID in pdb output for large number of chains 

-  Notes
(0000178)
delucasl (Administrator)
2013-03-16 11:29

 http://sw-tools.pdb.org/apps/CIFPARSE-OBJ/index.html [^] Something like this might work
(0000179)
smlewis (Administrator)
2013-03-16 11:54

 We also have a fair number of friends in the cctbx (and PHENIX) community. I have no idea what the portability or license is there, but I saw a talk on this recently and they've put a lot of effort into knowing the corner-cases. See the first article in this Computational Crystallography Newsletter: http://www.phenix-online.org/newsletter/CCN_2010_07.pdf [^]

- Issue History
Date Modified Username Field Change
2013-03-16 11:25 smlewis New Issue
2013-03-16 11:26 smlewis Relationship added related to 0000037
2013-03-16 11:26 smlewis Relationship added related to 0000109
2013-03-16 11:26 smlewis Relationship added related to 0000110
2013-03-16 11:29 delucasl Note Added: 0000178
2013-03-16 11:54 smlewis Note Added: 0000179
2017-08-07 19:41 amw579 Fixed in SVN Version => n/a
2017-08-07 19:41 amw579 Status new => closed
2017-08-07 19:41 amw579 Assigned To => amw579
2017-08-07 19:41 amw579 Resolution open => fixed

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