MantisBT - Rosetta
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0000325Rosetta[All Projects] Input Handlingpublic2014-02-26 15:352014-02-26 15:35
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rosetta_scripts.linuxclangrelease -database $ROSETTA3/database -parser:protocol LH_interface_general.xml @LH_interface_analysis.flag -l $dir/$ss/full_PDBLIST_heavy_culled.txt -parser:script_vars sep=$sep tog=$tog name=LH_Fv_repack_both.sasafix score=$scor
0000325: non-cannonical AA at terminal position causes incorrect chain identification
If loading a PDB with an ignored non-cannonical terminal residue, such as PCA, Rosetta will incorrectly identify the chain of the next set of residues, such that those residues will be a part of the previous chain. Foldtree is correctly identified. For example, a two chain pose will be one chain in Rosetta.
Load the file into PyRosetta with -ignore_unrecognized_res, query the number of chains in the pose.
PCA is pyrrolidone carboxylic acid. Removing this residue from the PDB file makes it load correctly.
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? 3twcL-3twcH.pdb (238,922) 2014-02-26 15:35
Issue History
2014-02-26 15:35jadolfbrNew Issue
2014-02-26 15:35jadolfbrFile Added: 3twcL-3twcH.pdb

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