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Error in score funtion "hack_elec 0.42"

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Error in score funtion "hack_elec 0.42"

Hello everyone!

I am getting this following error when I am trying to run a rosettaDNA application program in which i want to change the specificity of a protein so that it binds to a target DNA. In most published articles, I have seen "hack_elec 0.42 " or similar values. However, it's not working in my case. Can you help me with this?

core.pack.task: Packer task: initialize from command line() 
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: optimizedenergyfxn.wts
score_typeextract failed: hack_elec

ERROR: bad line in file optimizedenergyfxn.wts:hack_elec 0.42 
ERROR:: Exit from: src/core/scoring/ line: 455

This is the book I am referring to. 413.9 KB
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Sun, 2024-03-17 06:33

hack_elec got renamed as fa_elec. If you substitute, it should be more-or-less equivalent. 

I should mention that there have been some changes in how the term behaves over time. The Thyme & Baker reference you give would have used an older version, one which is obtainable with the `-restore_pre_talaris_2013_behavior` option. That said, the changes which have been made were intended to improve behavior (at least for protein complexes), so things may or may not be better with that option.

Along with that, I should mention that the default energy function these days (ref2015) does contain fa_elec (reweighted to be appropriate), so you might not need a different energy function, at least not to get hack_elec/fa_elec to be present.

Mon, 2024-03-18 08:55