MantisBT - Rosetta | |||||
| View Issue Details | |||||
| ID | Project | Category | View Status | Date Submitted | Last Update |
| 0000288 | Rosetta | [All Projects] Input Handling | public | 2013-06-26 15:49 | 2013-06-26 15:49 |
| Reporter | rmoretti | ||||
| Assigned To | |||||
| Priority | normal | Severity | minor | Reproducibility | always |
| Status | new | Resolution | open | ||
| Platform | OS | OS Version | |||
| Product Version | |||||
| Fixed in Version | |||||
| Application(s) Affected | all | ||||
| Command Line Used | any | ||||
| Developer Options | Feature Request | ||||
| Fixed in SVN Version | |||||
| Summary | 0000288: Rosetta doesn't automatically recognize chain terminal modifications. | ||||
| Description | 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. | ||||
| Steps To Reproduce | |||||
| Additional Information | 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. | ||||
| Tags | No tags attached. | ||||
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| Attached Files | |||||
| Issue History | |||||
| Date Modified | Username | Field | Change | ||
| 2013-06-26 15:49 | rmoretti | New Issue | |||
| There are no notes attached to this issue. |