| View Issue Details [ Jump to Notes ] | [ Issue History ] [ Print ] |
| ID | Project | Category | View Status | Date Submitted | Last Update |
| 0000328 | Rosetta | [All Projects] Input Handling | public | 2014-03-27 10:57 | 2014-03-27 10:57 |
|
| Reporter | rmoretti | |
| Assigned To | | |
| Priority | normal | Severity | minor | Reproducibility | always |
| Status | new | Resolution | open | |
| Platform | | OS | | OS Version | |
| Product Version | | |
| Fixed in Version | | |
|
| Summary | 0000328: Ligands will all atoms incorrectly named cause Rosetta error. |
| Description | If you have a (non-polymeric) ligand in your PDB, but you don't have any of the appropriately named atoms, Rosetta will attempt to put the ligand in the pose (as opposed to discarding/ignoring it), but when it tries to fill the missing atoms it won't have anything to anchor on, so it will just spin helplessly until it errors out with a somewhat obtuse error message. |
| Steps To Reproduce | Take a structure with a non-polymeric ligand. Rename all the atoms in the PDB to something else. Try to score it in Rosetta. |
| Tags | No tags attached. |
|
| Application(s) Affected | all |
| Command Line Used | na |
| Developer Options | |
| Fixed in SVN Version | |
|
| Attached Files | |
|
Relationships 
Relationships