I'm using pyrosetta compiled from rosetta_src_2017.39. I was wondering whether it's possible to use both talaris2014 and ref2015 in the same script. When I try to set up a scoring function using talaris2014 weights, I get this error:
pyrosetta.create_score_function("talaris2014") ERROR: talaris2014(.wts) requested, but -corrections::restore_talaris_behavior not set to true. This leads to a garbage scorefunction. Exiting.
If I put in the appropriate flag when starting rosetta (-corrections::restore_talaris_behavior), I can set up a scoring function using both talaris2014 and ref2015. I was wondering, is the ref2015 scoring function is impacted negatively by this flag I've added? If I put in this flag, can I use both talaris2014 and ref2015 score functions in the same script?
One related question about ref2015 - I did a quick benchmark repacking an antibody. With talaris2014 repacking took 10.8s (measured using the timeit function in pyrosetta). Using ref2015, repacking took 24.0s. Is this difference expected (i.e. taking more than twice as long)? Is there some other flag that I have to set to get ref2015 to run in a time that's comparable to talaris2014?