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| ID | Project | Category | View Status | Date Submitted | Last Update |
| 0000337 | Rosetta | [All Projects] Bad Coding | public | 2014-06-09 10:22 | 2014-06-23 14:45 |
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| Reporter | rmoretti | |
| Assigned To | rmoretti | |
| Priority | normal | Severity | minor | Reproducibility | always |
| Status | resolved | Resolution | fixed | |
| Platform | | OS | | OS Version | |
| Product Version | | |
| Fixed in Version | | |
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| Summary | 0000337: Spurious "WARNING: In CA_rmsd, residue range ... to ... requested but only ... protein CA atoms found." messages. |
| Description | In things like relax, CA_rmsd(pose1,pose2) is called, which then calls CA_rmsd( pose1, pose2, start, end ) - The latter, with an explicit range, checks to make sure that every residue in the given range is used. If not, it prints a warning message.
This is sub-optimal for situations like relax, etc. which do the whole-structure rmsd, and may include non-protein residues like virtual residues or ligands, whose presence in the range is not really a warn-able offense. |
| Additional Information | We probably want to make the logic smarter, so that it only warns if you're missing from an explicitly given range, not if you're missing from the implicit "all the residues in the pose" range. (Combining the two function using default arguments may be the easiest way to do this cleanly.)
HT Justin Porter for pointing out this long-standing issue on the mailing list. |
| Tags | No tags attached. |
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| Application(s) Affected | relax, score_jd2, others |
| Command Line Used | many |
| Developer Options | |
| Fixed in SVN Version | 56978 |
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| Attached Files | |
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