rstoolbox.utils.baseline

rstoolbox.utils.baseline(minimize=False)

RosettaScript to calculate DSSP secondary structure and phi-psi angles.

Parameters:minimize (bool) – If True, apply minimization before evaluating the structure.
Returns:str

Example

In [1]: from rstoolbox.utils import baseline
   ...: print(baseline())
   ...: 
<ROSETTASCRIPTS>
    <MOVERS>
        <WriteSSEMover dssp="1" name="w" write_phipsi="true" />
        <MinMover name="m" bb="true" chi="true" tolerance=".1" />
    </MOVERS>
    <FILTERS>
        <CavityVolume name="cavity" confidence="0" />
        <PackStat name="pack" confidence="0" />
        <AverageDegree name="avdegree" confidence="0" />
    </FILTERS>
    <PROTOCOLS>
        <Add mover="w" />
        <Add filter="cavity" />
        <Add filter="pack" />
        <Add filter="avdegree" />
    </PROTOCOLS>
</ROSETTASCRIPTS>