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IDProjectCategoryView StatusDate SubmittedLast Update
0000149Rosetta[All Projects] Incorrect Resultspublic2012-10-29 11:342013-02-21 09:10
Assigned To 
PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000149: Feature Request: loop RMSD mode
DescriptionIs there a command-line only method (I guess RosettaScripts counts) to calculate loop RMSDs? All of the methods with which I am familiar (um, -native on score_jd2) produce whole-structure RMSD, which is not correct when doing loop modeling with only localized variation.

LoopAnalyzer (pilot/smlewis) would be a good place for me to add this (promoting it along the way) if it doesn't exist already.
TagsNo tags attached.
Application(s) Affectedscore_jd2, LoopAnalyzer, loopmodel
Command Line Usedfeature request
Developer OptionsFeature Request
Fixed in SVN Version
Attached Files

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-  Notes
weitzner (Developer)
2012-10-31 11:41

Part of the difficulty in providing this sort of functionality is the way that alignments are done for the purpose of calculating loop rmsd. I can point you to a function in protocols::loops that calculates what you want, but, afaik, there is not an application to simply calculate this. It would be simple-ish to write one. I'd be happy to talk with you about it offline.
smlewis (Administrator)
2013-02-21 09:10 [^]

- Issue History
Date Modified Username Field Change
2012-10-29 11:34 smlewis New Issue
2012-10-31 11:41 weitzner Note Added: 0000125
2013-02-21 09:10 smlewis Note Added: 0000140

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