entropybit

#!/bin/bash

module purge
module load rosetta

cd models 

for i in {1..11};
do
    fixbb.mpi.linuxgccrelease -s ca_trace_protein_${i}.pdb -overwrite -ignore_zero_occupancy false

entropybit

<ROSETTASCRIPTS>
    <SCOREFXNS>
        <ScoreFunction name="ref15" weights="ref2015.wts" />
    </SCOREFXNS>
    <RESIDUE_SELECTORS>
         <Chain name="Protein" chains="A"/>
         <Chain name="DNA_Strain1" chains="B"/>
         <Chain name="DNA_Strain2" chains="C"/>  
        <Chain name="DNA" chains="B,C"/>         
    </RESIDUE_SELECTORS>