Warning messages in Interface analyzer output

[Anonymous]

Hi Rosetta guys

I am using the Intherface analyzer (script version) for post analysis of docking results. I get these odd warning messages in the log file which I cannot seem to find information on:

Warning: In InterfaceAnalyzerMover, calculator Sasa_2 already exists, this is hopefully correct for your purposes
Warning: In InterfaceAnalyzerMover, calculator InterfaceNeighborDefinition_2 already exists, this is hopefully correct for your purposes
Warning: In InterfaceAnalyzerMover, calculator InterfaceSasaDefinition_2 already exists, this is hopefully correct for your purposes
Warning: In InterfaceAnalyzerMover, calculator InterfaceDeltaEnergetics_2 already exists, this is hopefully correct for your purposes
Warning: In InterfaceAnalyzerMover, calculator NumberHBonds_2 already exists, this is hopefully correct for your purposes
Warning: In InterfaceAnalyzerMover, calculator BuriedUnsatisfiedPolars_2 already exists, this is hopefully correct for your purposes

In the script all that is called is the interface analyzer and avg_dgr.

Could you help me understanding what it is about=

Best regards
Pernille

[Anonymous]

I don’t think you need to worry about those.

It’s to do with the internal technical details, where metric calculators need to be “registered” internally. In the process of the InterfaceAnalyzer, a single calculator gets re-registered multiple times under the same name. The warning message is there because if a *different* calculator gets registered under the same name, things don’t work how you might expect them to. But for the InterfaceAnalyzer the same calculator should be getting re-registered, so there shouldn’t be an issue.

[Anonymous]

Thank you for quick answer!

[Anonymous]

On the subject.
It seems to me the flag

-add_regular_scores_to_scorefile

does not wotk anymore (Rosetta 3.5 weekly: 2014.20.56383). I cannot find any other information on the flag than:

https://www.rosettacommons.org/docs/latest/interface-analyzer.html

where the flag is described as standard. As of now we concatenate outputs with docking results but would be great not having to do that:)

Best
P

[Anonymous]

That flag is specific to the InterfaceAnalyzer commandline application, and is not observed by the InterfaceAnalyzer mover in RosettaScripts.

The reason is that RosettaScripts *always* does the equivalent (rescore the pose with a regular scorefunction prior to output). By default it will rescore the output pose with the commandline scorefunction. If you want to change which scorefunction is used, use the OUTPUT tag in your script. https://www.rosettacommons.org/docs/latest/RosettaScripts-Documentation.html#OUTPUT

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