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IDProjectCategoryView StatusDate SubmittedLast Update
0000317Rosetta[All Projects] Crashpublic2013-12-12 11:072013-12-12 11:07
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PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000317: Growing loops can result in non-sensical loop sets and foldtrees.
DescriptionIf you start things right, and have the right random seed, protocols::loops::Loops::grow_all_loops( ) can result in non-sensical loop sets. Specifically, it can result in loops that grow to be ontop of one another, e.g. a loopset which has both a loop from 27-33 and a loop from 27-35. There's a little bit of detection of this case in grow_loop(nres,loop,magL,magR), but it doesn't actually change anything or prevent it from happening.

The real kicker is when the extended, overlapping loop set gets passed to something like protocols::loops::fold_tree_from_loops(), where having overlapping loops and loops with coincident start sites makes an utterly repugnant foldtree.

It might be good to have some sort of normalization/merging code for the loop growing code (or really any loop set, which may be overlapping), which would normalize and merge loops such that they meet the standard conception of a loopset.
Additional InformationAn example which runs afoul with this using the protocols::comparative_modeling::LoopRelaxMover is posted at [^]

TagsNo tags attached.
Application(s) Affectedminirosetta
Command Line Usedminirosetta.linuxgccrelease @flags
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Fixed in SVN Version
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Date Modified Username Field Change
2013-12-12 11:07 rmoretti New Issue

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