Deprecation of scoring functions

ryanmcgreevy / ModelMaker

ModelMaker plugin of VMD

2 stars 1 forks source link

Deprecation of scoring functions #26

Closed maxscheurer closed 7 years ago

maxscheurer commented 7 years ago

Rosetta has dropped default support for older scoring functions in newer builts/weekly releases.

We're using talaris2013 as scoring function when using densities. In my built, I get an error and Rosetta tells me to add another flag to the command to still use the scoring function.

I suggest we should use the current default scoring function from now on, which is ref2015.

maxscheurer commented 7 years ago

I changed the default scoring function, which is basically an improvement of the former scoring function. Find the Rosetta Scoring function history here.

trudack commented 7 years ago

@maxscheurer and @ryanmcgreevy if I run a refinement of the backbone I get this error. I believe this has something to do with the changes in the scoring functions you did. Could you please check

ERROR: Unable to open weights/patch file. None of (./)ref2015_cart or (./)ref2015_cart.wts or /bph/app/rosetta/src_2017.08.59291/main/database/scoring/weights/ref2015_cart or /bph/app/rosetta/src_2017.08.59291/main/database/scoring/weights/ref2015_cart.wts exist ERROR:: Exit from: src/core/scoring/ScoreFunction.cc line: 2711

maxscheurer commented 7 years ago

I changed the code to use the talaris2014 scoring function. The ref2015 scoring function is only contained in the very newest builds of Rosetta, so I think we should allow for backward compatibility and use this older scoring function.

trudack commented 7 years ago

I am going to be annoying again: Now I get this error:

ERROR: Option matching -restore_talaris_behavior not found in command line top-level context