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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 |
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| 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 | | |
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| 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. |
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| 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 | |
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| Attached Files |  3twcL-3twcH.pdb [^] (238,922 bytes) 2014-02-26 15:35 |
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