MantisBT - Rosetta
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0000152Rosetta[All Projects] Input Handlingpublic2012-11-16 13:432012-11-16 13:43
rmoretti 
 
normalminoralways
newopen 
All platformsAnyAny
Trunk 
 
rosetta_scripts
rosetta_scripts with HbondsToResidue in the xml and a NCAA in the pose
Confirmed As Bug
0000152: HbondsToResidueFilter
HbondsToResidueFilter hard codes the use of STANDARD_WTS/SCORE12_PATCH which can fail if you're using a pose incompatible with any of the standard terms.

For example, with NCAA, fa_dun can cause errors (c.f. http://www.rosettacommons.org/content/cant-make-ncaas-and-d-aminoacids-work#comment-5515 [^] )

The fix is probably to create a scorefunction which only turns on the relevant hbond terms. (It's operating on a copy of a const pose, so downstream effects are nonexistent).
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2012-11-16 13:43rmorettiNew Issue

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