MantisBT - Rosetta
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0000337Rosetta[All Projects] Bad Codingpublic2014-06-09 10:222014-06-23 14:45
relax, score_jd2, others
0000337: Spurious "WARNING: In CA_rmsd, residue range ... to ... requested but only ... protein CA atoms found." messages.
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.
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.
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Issue History
2014-06-09 10:22rmorettiNew Issue
2014-06-21 10:24rmorettiAssigned To => rmoretti
2014-06-21 10:24rmorettiStatusnew => assigned
2014-06-23 14:45rmorettiFixed in SVN Version => 56978
2014-06-23 14:45rmorettiStatusassigned => resolved
2014-06-23 14:45rmorettiResolutionopen => fixed

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