文章复现-No.1-Rosetta-KIC-Part-8-rosetta-GeneralizedKIC 示例

 <ROSETTASCRIPTS>
     <TASKOPERATIONS>
     </TASKOPERATIONS>
     <SCOREFXNS>
         <ScoreFunction name="tala" weights="talaris2013" symmetric="0" />
     </SCOREFXNS>
     <FILTERS>
     </FILTERS>
     <MOVERS>
         <PeptideStubMover name="pep_stub" reset="1">
             <Append resname="CYD" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="ALA" />
             <Append resname="CYD" />
         </PeptideStubMover>
         
         <SetTorsion name="tor1">
             <Torsion residue="ALL" torsion_name="phi" angle="-64.7"/>
             <Torsion residue="ALL" torsion_name="psi" angle="-41.0"/>
             <Torsion residue="ALL" torsion_name="omega" angle="180"/>
         </SetTorsion>
 
 <SetTorsion name="tor2">
             <Torsion residue="pick_atoms" angle="random">
                 <Atom1 residue="1" atom="N"/>
                 <Atom2 residue="1" atom="CA"/>
                 <Atom3 residue="1" atom="CB"/>
                 <Atom4 residue="1" atom="SG"/>
             </Torsion>
             <Torsion residue="pick_atoms" angle="random">
                 <Atom1 residue="10" atom="N"/>
                 <Atom2 residue="10" atom="CA"/>
                 <Atom3 residue="10" atom="CB"/>
                 <Atom4 residue="10" atom="SG"/>
             </Torsion>
 </SetTorsion>
         
         <DeclareBond name="bond" res1="1" atom1="SG" res2="10" atom2="SG"/>
 
 <GeneralizedKIC name="genkic" closure_attempts="200" stop_when_n_solutions_found="0" selector="random_selector">
 <AddResidue res_index="3" />
                 <AddResidue res_index="2" />
                 <AddResidue res_index="1" />
                 <AddResidue res_index="10" />
                 <AddResidue res_index="9" />
                 <AddResidue res_index="8" />
                 <AddResidue res_index="7" />
                 <AddResidue res_index="6" />
                 <AddResidue res_index="5" />
 <SetPivots res1="3" atom1="CA" res2="1" atom2="SG" res3="5" atom3="CA" />
 <CloseBond prioratom_res="10" prioratom="CB" res1="10" atom1="SG" res2="1" atom2="SG" followingatom_res="1"followingatom="CB" bondlength="2.05" angle1="103" angle2="103" randomize_flanking_torsions="true" />
 <AddPerturber effect="randomize_alpha_backbone_by_rama">
 <AddResidue index="3" />
 <AddResidue index="2" />
 <AddResidue index="1" />
 <AddResidue index="10" />
 <AddResidue index="9" />
                         <AddResidue index="8" />
                         <AddResidue index="7" />
                         <AddResidue index="6" />
                         <AddResidue index="5" />
 </AddPerturber>
 <AddFilter type="loop_bump_check" />
 </GeneralizedKIC>
         
     </MOVERS>
     <APPLY_TO_POSE>
     </APPLY_TO_POSE>
     <PROTOCOLS>
         <Add mover="pep_stub"/>
         <Add mover="tor1"/>
         <Add mover="tor2"/>
         <Add mover="bond"/>
         <Add mover="genkic"/>
     </PROTOCOLS>
 </ROSETTASCRIPTS>