0000317: Growing loops can result in non-sensical loop sets and foldtrees.

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0000317

Rosetta

[All Projects] Crash

public

2013-12-12 11:07

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rmoretti

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Priority

normal

Severity

minor

Reproducibility

always

Status

new

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open

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Summary

0000317: Growing loops can result in non-sensical loop sets and foldtrees.

Description

If 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 Information

An example which runs afoul with this using the protocols::comparative_modeling::LoopRelaxMover is posted at https://www.rosettacommons.org/node/3526 [^]

Issue History
Date Modified	Username	Field	Change
2013-12-12 11:07	rmoretti	New Issue

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