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IDProjectCategoryView StatusDate SubmittedLast Update
0000337Rosetta[All Projects] Bad Codingpublic2014-06-09 10:222014-06-23 14:45
Assigned Tormoretti 
PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000337: Spurious "WARNING: In CA_rmsd, residue range ... to ... requested but only ... protein CA atoms found." messages.
DescriptionIn 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 InformationWe 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.
TagsNo tags attached.
Application(s) Affectedrelax, score_jd2, others
Command Line Usedmany
Developer Options
Fixed in SVN Version56978
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- Issue History
Date Modified Username Field Change
2014-06-09 10:22 rmoretti New Issue
2014-06-21 10:24 rmoretti Assigned To => rmoretti
2014-06-21 10:24 rmoretti Status new => assigned
2014-06-23 14:45 rmoretti Fixed in SVN Version => 56978
2014-06-23 14:45 rmoretti Status assigned => resolved
2014-06-23 14:45 rmoretti Resolution open => fixed

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