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IDProjectCategoryView StatusDate SubmittedLast Update
0000288Rosetta[All Projects] Input Handlingpublic2013-06-26 15:492013-06-26 15:49
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PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000288: Rosetta doesn't automatically recognize chain terminal modifications.
DescriptionIf you load a PDB with modified (N-acetylated, C-methamidated, etc.) chain termini, Rosetta will ignore the atoms for that modificationby default. You need to explicitly add the flags -in:Ntermini and -in:Ctermini explicitly listing the chains for which you wish to load the modified chain termini for.

Ideally Rosetta should be able to automatically recognize that there is a (properly named) acetyl/etc group on that residue, and load the appropriate patched residue type for that residue.
Additional InformationThe reason the patched residue isn't loaded is that there is a check for UPPER_TERMINUS and LOWER_TERMINUS variant types for those residues which start/end chains.

Adding the TERMINUS variant types to the chain terminating patches might be a solution, but there appears to be some issues with properly creating the foldtree in those situations.
TagsNo tags attached.
Application(s) Affectedall
Command Line Usedany
Developer OptionsFeature Request
Fixed in SVN Version
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Date Modified Username Field Change
2013-06-26 15:49 rmoretti New Issue

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