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IDProjectCategoryView StatusDate SubmittedLast Update
0000002Rosetta[All Projects] Crashpublic2012-06-19 11:132017-08-07 18:39
Assigned Tosmlewis 
Platformx86OSLinuxOS VersionUbuntu
Product VersionAll 
Fixed in Version 
Summary0000002: TorsionDOFMover scores whole poses instead of just moving torsions
DescriptionTorsionDOFMover does something stupid, it scores whole poses instead of single bonds. The logic for scoring a single bond is not straightforward and would be a duplication of stuff that properly belongs to the scorefunction. Perhaps this code should only score single bonds.

If you are using TorsionDOFMover and have unscorable torsions in your pose (X atoms, usually because uses X instead of VIRT for unknown types), it will crash.
Steps To ReproduceUse UBQ_Gp* executable, with -extra_bodies and unscorable torsions in the extra bodies (say a GDP molecule)
TagsNo tags attached.
Application(s) Affectedthose that use TorsionDOFMover
Command Line UsedUBQ_GP* series with ligand extra_bodies
Developer Options
Fixed in SVN Versionn/a
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- Issue History
Date Modified Username Field Change
2012-06-19 11:13 delucasl New Issue
2012-06-19 11:29 smlewis Reporter delucasl => smlewis
2012-06-19 11:29 smlewis Status new => confirmed
2012-06-19 11:29 smlewis Assigned To => smlewis
2012-06-19 11:29 smlewis Status confirmed => assigned
2017-08-07 18:39 amw579 Fixed in SVN Version => n/a
2017-08-07 18:39 amw579 Status assigned => closed
2017-08-07 18:39 amw579 Resolution open => suspended

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