0000325: non-cannonical AA at terminal position causes incorrect chain identification

MantisBT - Rosetta
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ID	Project	Category	View Status	Date Submitted	Last Update
0000325	Rosetta	[All Projects] Input Handling	public	2014-02-26 15:35	2014-02-26 15:35

Reporter	jadolfbr
Assigned To
Priority	normal	Severity	minor	Reproducibility	always
Status	new	Resolution	open
Platform	All platforms	OS	Any	OS Version	Any
Product Version	Trunk
Fixed in Version
Application(s) Affected	Many depending on context
Command Line Used	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
Developer Options
Fixed in SVN Version

Summary	0000325: non-cannonical AA at terminal position causes incorrect chain identification
Description	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.
Steps To Reproduce	Load the file into PyRosetta with -ignore_unrecognized_res, query the number of chains in the pose.
Additional Information	PCA is pyrrolidone carboxylic acid. Removing this residue from the PDB file makes it load correctly.
Tags	No tags attached.
Relationships
Attached Files	3twcL-3twcH.pdb (238,922) 2014-02-26 15:35 https://carbon.structbio.vanderbilt.edu/mantisbt/file_download.php?file_id=41&type=bug

Issue History
Date Modified	Username	Field	Change
2014-02-26 15:35	jadolfbr	New Issue
2014-02-26 15:35	jadolfbr	File Added: 3twcL-3twcH.pdb

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