Rosetta scripts: ScoreFunction

I have written about rosetta scripts here.

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Here we want to write the first section:

<SCOREFXNS>
…
</SCOREFXNS>

If you use the predefined score functions without any change, just set the weights as the name of the weights file you would like to use. All weights files can be found in <path-to-Rosetta>/main/database/scoring/weights. The default score in rosetta is ref2015. The name attribute is the name that you call the score function with later in the code.

<ScoreFunction name="myDefaultScore" weights="ref2015" />

If you want to change weights in a pre-defined score, you would use the Reweight tag. In the following example, I reweighted the term fa_sol to 0, so it will not be counted in the final score.

<ScoreFunction name="myModifiedScore" weights="ref2015" >
      <Reweight scoretype="fa_sol" weight="0" />
 </ScoreFunction>