BridgeChainsMover

[Anonymous]

Hi,

I am using the 2016.28 build and have the some problems with “BridgeChainsMover” from Brian’s recent method paper: DOI:10.1007/978-1-4939-3569-7_20

I get this error “ERROR: ‘scorefxn’ is not a valid option for BridgeChainsMover”.  Here is the part of script that returns an error:

<BridgeChainsMover name=”connect” chain1=”1″ chain2=”2″ motif=”3LX-3LA-3LX” overlap=”3″ scorefxn=”centroid_scorefunction” />

The paper describes “scorefxn” as compolsory option and if I run the script without “scorefxn” option,  I get this:

ERROR: connect: No score function set!

ERROR:: Exit from: src/protocols/denovo_design/movers/BridgeChainsMover.cc line: 178

Is there an easy way around this? I would appreciate any thoughts on this.

Thanks,

Maz

 

[Anonymous]

You found a bug!  I sent it along to Tom Linksy.  He said:

“

Pull request 1514 fixes this. This is my fault — I refactored this a couple of weeks ago and somehow the scorefxn option got lost.  Will push the fix an integration test as soon as the test servers are done with it

“

I guess look for the fix in the next release.  Thanks for finding it!

[Anonymous]

Thanks Steve, I’m using 2016.32.58837 now and the bug is gone.

[Anonymous]

Well, Tom Linsky deserves the thanks for fixing it, but we’re glad it’s working.

[Anonymous]

Tom suggests that this is a recent interface bug that he thinks the code from further back will work – maybe try the 3.6 release (which is from April) or something from early in this year.

[Anonymous]

I guess it’s relevant that he also tells me that I’m wrong about when this file was released and that it should be there for a year or so back.

[Author]

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