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|[All Projects] Input Handling
|Fixed in Version
|0000288: Rosetta doesn't automatically recognize chain terminal modifications.
|If 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.
|The 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.
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|Fixed in SVN Version