Branch: rosetta:commits 「revision: №20484」
Test: linux.gcc.mpi.serialization.integration.mpi
SubTest: mpi_simple_cycpep_predict_computing_pnear_to_all
SubTest files: 「file-system-view」
Daemon: hojo-2    
State: mpi_simple_cycpep_predict_computing_pnear_to_all

Brief Diff: Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt and /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt and /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt and /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/out.silent and /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/out.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 6 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 7 job(s), the last from node 1. 11c11 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 13c13 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 15c15 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 17c17 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 19c19 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 21c21,23 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Director node (0) is requesting PNear data for sample 7. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 24,25c26,27 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 6 SASA summaries from nodes below. < Summary for 6 job(s) returning results: --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 7 SASA summaries from nodes below. > Summary for 7 job(s) returning results: 27,33c29,36 < 2 3 1.21035 -1.41184 3 0 950.543 445.632 504.91 0.468819 0.531181 2,1 < 2 5 1.86615 -1.06248 3 0 1007.23 491.664 515.562 0.488137 0.511863 2,1 < 2 1 1.90494 1.82757 1 0 1017.39 486.667 530.725 0.478348 0.521652 2,1 < 2 2 1.61611 2.20531 2 0 964.975 466.058 498.916 0.482975 0.517025 2,1 < 2 6 1.78547 3.74915 1 1 1028.2 512.612 515.585 0.498554 0.501446 2,1 < 2 4 2.52143 5.1233 2 0 1062.81 474.369 588.442 0.446335 0.553665 2,1 < End summary for 6 job(s) returning results. --- > 2 2 0.163047 -8.4513 4 0 892.878 368.056 524.822 0.412213 0.587787 2,1 > 2 3 1.11117 -3.20228 5 0 957.088 406.76 550.328 0.424997 0.575003 2,1 > 2 7 0.712149 -2.62798 3 0 921.359 402.777 518.582 0.437155 0.562845 2,1 > 2 1 1.90388 1.81866 1 0 1017.74 485.992 531.752 0.477519 0.522481 2,1 > 2 6 1.58122 2.28543 3 1 1029.19 516.978 512.208 0.502317 0.497683 2,1 > 2 4 1.93199 4.60104 1 1 1015.39 480.25 535.136 0.472973 0.527027 2,1 > 2 5 2.08704 6.05696 1 1 1023.95 460.819 563.132 0.45004 0.54996 2,1 > End summary for 7 job(s) returning results. 35c38 < Summary of PNear values for lowest-energy 6 job(s) returning results: --- > Summary of PNear values for lowest-energy 7 job(s) returning results: 37,43c40,47 < 2 3 0.562325 1.2848 -0.250603 < 2 5 0.397515 0.659791 0.415832 < 2 1 0.0399559 0.0416188 3.1792 < 2 2 0.0153715 0.0156115 4.15975 < 2 6 0.00560035 0.0056319 5.17931 < 2 4 0.000817354 0.000818022 7.10862 < End summary of PNear values for lowest-energy 6 job(s) returning results. --- > 2 2 0.992145 126.307 -4.83872 > 2 3 0.0153924 0.015633 4.15837 > 2 7 0.102105 0.113716 2.17405 > 2 1 3.66953e-05 3.66967e-05 10.2128 > 2 6 6.42309e-05 6.4235e-05 9.65296 > 2 4 3.51502e-05 3.51514e-05 10.2558 > 2 5 5.47247e-07 5.47248e-07 14.4184 > End summary of PNear values for lowest-energy 7 job(s) returning results. 45c49 < PNear: 0.0016044 --- > PNear: 0.89217 47,48c51,52 < Keq: 0.00160697 < -kB*T*ln(Keq): 6.4334 --- > Keq: 8.27384 > -kB*T*ln(Keq): -2.1131 51,55c55,59 < BoltzAvg(SASA): 975.051 < BoltzAvg(PolarSASA): 465.337 < BoltzAvg(ApolarSASA): 509.715 < BoltzAvg(PolarSASAFract): 0.47698 < BoltzAvg(ApolarSASAFract): 0.52302 --- > BoltzAvg(SASA): 893.304 > BoltzAvg(PolarSASA): 368.367 > BoltzAvg(ApolarSASA): 524.937 > BoltzAvg(PolarSASAFract): 0.412357 > BoltzAvg(ApolarSASAFract): 0.587643 59,61c63,66 < 2 3 1.21035 -1.41184 3 0 2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 5 1.86615 -1.06248 3 0 2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 1 1.90494 1.82757 1 0 2,1 --- > 2 2 0.163047 -8.4513 4 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 3 1.11117 -3.20228 5 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 7 0.712149 -2.62798 3 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 1 1.90388 1.81866 1 0 2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 6 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 7 job(s), the last from node 2. 12,23c12,25 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt 36,42c36,42 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-176.024 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.581 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.786 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-179.994 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.538 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-175.203 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=177.705 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-176.023 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.504 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.807 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-179.992 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.572 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-175.249 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=177.776 44,46c44,46 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.90494 1.82757 1 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.90388 1.81866 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 5. New list is: DASP, ASP, DGLN, DLYS, ALA, LYS, DTHR > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DASP ASP DGLN DLYS ALA LYS DTHR. 66,72c66,72 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=173.247 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-175.191 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=179.907 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=176.763 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=177.369 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-173.814 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-179.17 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=169.016 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=179.571 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.046 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-176.866 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=-179.954 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=179.069 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-173.962 74c74 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 1.61611 2.20531 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 0.163047 -8.4513 4 0 85,86c85,86 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 0. New list is: DGLN, DLYS, ALA, LYS, DTHR, DASP, ASP < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DGLN DLYS ALA LYS DTHR DASP ASP. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 100,102c100,116 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure failed. Continuing to next job. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=171.875 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-170.11 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.94 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=170.282 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=172.711 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-174.948 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=179.857 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.11117 -3.20228 5 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 116,130c130 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-179.947 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=172.696 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-177.262 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-174.143 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=177.97 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=175.434 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-176.802 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Result RMSD Energy Hbonds CisPepBonds < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 1.21035 -1.41184 3 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure failed. 141,142c141,142 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 6. New list is: ASP, DGLN, DLYS, ALA, LYS, DTHR, DASP > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence ASP DGLN DLYS ALA LYS DTHR DASP. 162,168c162,168 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=172.506 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.562 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.956 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=179.997 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=179.303 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=176.771 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-176.069 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-175.987 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-174.02 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=176.449 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-175.616 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=176.858 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-179.957 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=0 170,172c170,172 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 2.52143 5.1233 2 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 5. New list is: DASP, ASP, DGLN, DLYS, ALA, LYS, DTHR < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DASP ASP DGLN DLYS ALA LYS DTHR. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.93199 4.60104 1 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 6. New list is: ASP, DGLN, DLYS, ALA, LYS, DTHR, DASP > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence ASP DGLN DLYS ALA LYS DTHR DASP. 186,187c186,201 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure failed. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 jobs attempted. 1 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-173.954 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-177.638 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.232 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=176.639 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=-176.259 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-179.955 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 2.08704 6.05696 1 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 jobs attempted. 2 jobs returned solutions. 197,198c211,212 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 5. New list is: DASP, ASP, DGLN, DLYS, ALA, LYS, DTHR < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DASP ASP DGLN DLYS ALA LYS DTHR. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 6. New list is: ASP, DGLN, DLYS, ALA, LYS, DTHR, DASP > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence ASP DGLN DLYS ALA LYS DTHR DASP. 218,224c232,238 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-179.921 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-172.211 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=174.509 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-178.697 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=179.93 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=177.662 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-174.964 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-178.096 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=176.744 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-177.354 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-177.183 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=171.833 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=179.946 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=0 226,228c240,242 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.86615 -1.06248 3 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 4. New list is: DTHR, DASP, ASP, DGLN, DLYS, ALA, LYS < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DTHR DASP ASP DGLN DLYS ALA LYS. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.58122 2.28543 3 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 5. New list is: DASP, ASP, DGLN, DLYS, ALA, LYS, DTHR > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DASP ASP DGLN DLYS ALA LYS DTHR. 253,254c267,268 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 6. New list is: ASP, DGLN, DLYS, ALA, LYS, DTHR, DASP < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence ASP DGLN DLYS ALA LYS DTHR DASP. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 4. New list is: DTHR, DASP, ASP, DGLN, DLYS, ALA, LYS > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DTHR DASP ASP DGLN DLYS ALA LYS. 274,280c288,294 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-175.298 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-172.749 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-175.066 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-174.183 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.775 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-179.913 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=179.287 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-179.049 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.769 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=179.967 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=176.749 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=169.786 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-178.748 282,284c296,298 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.78547 3.74915 1 1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 4. New list is: DTHR, DASP, ASP, DGLN, DLYS, ALA, LYS < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DTHR DASP ASP DGLN DLYS ALA LYS. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 0.712149 -2.62798 3 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 0. New list is: DGLN, DLYS, ALA, LYS, DTHR, DASP, ASP > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DGLN DLYS ALA LYS DTHR DASP ASP. 302c316 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker process 2 sent job summaries for 6 job(s) to node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker process 2 sent job summaries for 7 job(s) to node 1. 303a318,326 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.20733e-07 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.07008 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 0.758773 to best structure for job 7 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.94316 to best structure for job 1 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.58542 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.97434 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.09899 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.07008 to best structure for job 2 on node 2. 305,319c328,344 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.15271 to best structure for job 5 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.06501 to best structure for job 1 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.11425 to best structure for job 2 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.16909 to best structure for job 6 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.06072 to best structure for job 4 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 6 RMSD-to-best summaries to node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.15271 to best structure for job 3 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.015e-07 to best structure for job 5 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 0.879882 to best structure for job 1 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.35095 to best structure for job 2 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.09486 to best structure for job 6 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.85912 to best structure for job 4 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 6 RMSD-to-best summaries to node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.06501 to best structure for job 3 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 0.879882 to best structure for job 5 on node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.14688 to best structure for job 7 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.87246 to best structure for job 1 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.93035 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.89991 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.08566 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 0.758773 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.14688 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.9116e-07 to best structure for job 7 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.77364 to best structure for job 1 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.70454 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.78172 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.0346 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.94316 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.87246 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.77364 to best structure for job 7 on node 2. 321,347c346,375 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.65294 to best structure for job 2 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.95238 to best structure for job 6 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.65166 to best structure for job 4 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 6 RMSD-to-best summaries to node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.11425 to best structure for job 3 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.35095 to best structure for job 5 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.65294 to best structure for job 1 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.38419e-07 to best structure for job 2 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.48981 to best structure for job 6 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.60257 to best structure for job 4 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 6 RMSD-to-best summaries to node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.16909 to best structure for job 3 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.09486 to best structure for job 5 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.95238 to best structure for job 1 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.48981 to best structure for job 2 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.68587e-07 to best structure for job 6 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.51806 to best structure for job 4 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 6 RMSD-to-best summaries to node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.06072 to best structure for job 3 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.85912 to best structure for job 5 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.65166 to best structure for job 1 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.60257 to best structure for job 2 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.51806 to best structure for job 6 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.9116e-07 to best structure for job 4 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 6 RMSD-to-best summaries to node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker process 2 received requests for the following job(s): 2-3, 2-5, 2-1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker proc 2 sent 3 structures to node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.75496 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 0.106747 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.4804 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.58542 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.93035 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.70454 to best structure for job 7 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.75496 to best structure for job 1 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.11335e-07 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.78729 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.30721 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.97434 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.89991 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.78172 to best structure for job 7 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 0.106747 to best structure for job 1 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.78729 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.015e-07 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.50043 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.09899 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.08566 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.0346 to best structure for job 7 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.4804 to best structure for job 1 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.30721 to best structure for job 6 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.50043 to best structure for job 4 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.015e-07 to best structure for job 5 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 7 RMSD-to-best summaries to node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker process 2 received requests for the following job(s): 2-2, 2-3, 2-7, 2-1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker proc 2 sent 4 structures to node 1. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/out.silent /home/benchmark/working_dir/commits:20484/mpi_simple_cycpep_predict_computing_pnear_to_all/out.silent 4,5c4,5 < SCORE: -1.412 -17.388 2.132 18.349 0.043 1.596 -1.442 -3.770 0.000 -2.409 0.000 0.000 0.000 0.000 0.092 8.108 -1.111 0.000 -4.695 -0.917 1.210 3.000 0.000 result_proc0002_0004 < ANNOTATED_SEQUENCE: Q[DGLN:protein_cutpoint_lower]K[DLYS:protein_cutpoint_upper]AKT[DTHR]D[DASP]D result_proc0002_0004 --- > SCORE: -8.451 -21.601 2.367 24.531 0.049 2.577 -0.114 -11.268 0.000 -3.788 0.000 -0.521 -2.466 0.000 0.173 6.943 -2.142 0.000 -4.695 1.503 0.163 4.000 0.000 result_proc0002_0002 > ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]AKT[DTHR:protein_cutpoint_lower]D[DASP:protein_cutpoint_upper]D result_proc0002_0002 7,13c7,13 < Ly91FAhBip9jlpAKwtklCAxtlR67IQZIwUOyL/YWxk8bnwNIwprkm+gosl/7HuoIwF9kE+KtQy6DSILHwmjly/ygmN4TT2sGwQiOPA99G7+rdMjJwlZpjAREEg+bJMmJwbidoAFEHc+rJBoFwLwIoAVYoNAcW0sCwF09sANDGd27GBIEwvtXMAxeld/Tj4JJwMyVIAt19u27xFwEwqB+JApVwT/b36lLw+98LAtu9WAMeaYIwkrXlAl7PZ6b4fkKwhRWnAFUSEAsTKtKwRqRwA9ISptTKmfAwDbDtAJSV08TY3nGw result_proc0002_0004 < LSdNE+CZoy6DXILHwWIjy/e3KR4jYYsGw4CoBA3/Yp8TVEXBw6cnCAbzav/TXldAwGFvL/QyCl8L0xNIwhqEFA3zWS9jc/pJwTgFAAXJH45jDzZMwEUyMAzQXy9jxUlOwrUtHAjINA7zkmqQw9f7TAbAxH+jykvRwgA4c+IPui+DXQiGwXt84/iS8t9r6A3Gwd2BBATs6w/DmbsJwtMSWAbUk+8jolVJw8ECEA7g7R9bTRbMwTzQc/+FY06jPd0MwU89IADrtAAEmkkOwdO2dAPllU9DfjMOw6mmLAThlv8bNurQwxkUt/aYB47Tdi3QwyOHQAn6Yn8THwoSw6ZNQArc0CAUZ6vRwSp4hAf2Pz9jA9kRw result_proc0002_0004 < LKwnHA7oSE6rBZq7vDdhNATJkC3zoVzbvbAL2/OZKI9z1gEyP6t28/+MrB/Dl5x8PoYlUAPKUS+Ls0yyPBlGIAjTId+rzE79v8n1aALbMM9DoFygv6D8YAzD7c97jdi9PQzLhAvTkL/LLAcjPjphHAfgfu/rrxPzP result_proc0002_0004 < L5w78+e13K8TzwwhP+f4N/sskL+Dxul0PVkMg/QxEgAUHvSpP8s27/ATZMBk4oP1PPni9/M5z94DHHgwP/DF6/whbZ+LZpQ5PMuSQAR12DA89Z40P9MwOAJ/6bBMpDl7PLAggAxa9JC8/3f4PL4+v+GJKL0LwtuyvLbxC/QgeS+j0Z5+PBO+AAxe3o1DRnrwvKOLNAt/7o8D9Yw2Pc8D4/s7QN+7//9AQwPQa/crRY/74uz0P4qPRAViVLAM1D5ovyl3eA5vLJ/brJN5P2MkOAxzNVB8+/HCQxgx//klq6B8gLI5PPiYfA1CzmCMA0D8PT5kgAZXyNCc83EXPvrbnABtq4B8xd36P result_proc0002_0004 < LdBlj+U8/6AUt/zzvnDeC/MiZGCk5fH7vzORr/EzaACkx7pCw0lP1/w5z4AU5oNEwbknR/G82dCEGfv9v32Iv/quTHC0jvADwu2H1/qPpgCkZievvKy38+K71VAUH0n4vgvyj/8RWaC0EtVzvjtUD/CUF+CE3yRAwB329/GVdeB01dfBwjtVJAjCVxC015vzvu8Xk/+DGyCU4eppP4Ro8/asgAC0LRggv result_proc0002_0004 < LAjM2/Ie7jC0cUPFw1CJIAh2viCEIUCJw9D49/sdrDCksRFLwxX2O/8S1DCkvgnLw9h3JAt3bPDEDVRKwwD5WAtcRuD0+IkIwlZIgAhOQgD0IFSFw99VXAhZxJEEi4MJwZCLs/0keADkJb0DwroJYAVc2XCEsAgIwHyxz/oitcDUuCjKw/jSRApjINDEUTPMw result_proc0002_0004 < LrqxMA94FSBkoNOMwsQ1FA5UVPAEZLEOwlfcAA1IB09DGElMwGTLv/ce9RyDyCvNw0FKXA57S7/T3BFQwJDEbAVxXJBkAXARwMdzLAJ91xB0lLZRwhfomANjAaBkESURwPugcAx//XBUfPzLwtj4u/sqSlAUAvFPwe/DjAVCcb/zd2JPwfhjSApL+M+jwmrQw result_proc0002_0004 --- > LTaL4/ko0P6T/wLLwlmCq/o4Ti97G1qJwR/R078Ida8bfcNIwOsms+CKtm+Lv6nEwnVtk/oS8FA8nMhLwDNpGAtarfAM2E/MwM5SYA9pb7Asa7FLw47rVAxAI4BMfAjJwM4MlAxfFPAcP8MLw/Fco/wPpI8DR83Mw2oJBAZKNP+LKOLIwn+yw+wzYw/bVlANwARsT/oM28AsV7WKwTeZMA5+RS/rP5IOwoiBDANp+UBcVTUOwg6TrAtNceAc4BAKwE56lAVqp8+bFEfMw result_proc0002_0002 > LrzPN/i/AZ7Do4GJwhNNBAHYro8Tz7NIwT/1BAnJlI+D7TkCwEJO3/KeeLAkXRJBw9L4LA3fod/DIW8Jw/SthAzf17/z69TJwR6kmA/ez/AERVMLwZqUyAjDRPBUSpjKwIcM3AfhzHC0idYMwoRMl+mEdH+T0McKwScMKAnUTK6rzHbIwJOqKAbT65+DB6CMwWWeDA/EbrAUxMsJwadgiA/blUAkdGhGwWrFmADe6D+jyZgJwTD4lAnjYpAkuFQNwt0PiAzaE8BUyjALwhHGzA3f2lBU3WgIw2wu2ADqXTAUAcvKwO/9+Aj8/LCEdX5LwYAq2Afev6BUelSOwEWRzAzC6jCkF4MMw result_proc0002_0002 > LEfaJA3Wbk4TyNW+vdgvKA/xuX7z08jrvUuwp/Si0E9jRgylPQlmm/u4w5+jrb45PZTLUAvbvH9rK0mrPsEYOArpb78rXUmAwogNVAz52j+z2jflvaLEVA3z9R8rrmc7PwBGiAriD797naVKv4jDKAnZTT/rrumkP result_proc0002_0002 > LZvVg+qaNX6j0cLuv4thj/QkuJ8j5O8GPv8pu/EDQBAkDaPVvIrjFAVdZfAkz9gyPd8sBAZVIM67ViC1vqkWAAJ+wj/r8Spxv+9ORA1WygA8C7V7v/x4OAhErACMxWS6v9omeAVvDYCcXuhAwdsRz+mCn85rdlQ6vmG+l/M7Nl5TFuc4PgeN+/Enva2LW5/+vJ88RARPTq0T1nMxvXVsCARjcAAMzRhuPBRIh/I2jIAcUzY2vqMtPAZnJPAsjD4BwGojgAZyNOAshbl4vanPRAZC9JCca/xnvZyk9/gcHKC8piq8vgVhcAlx53CM6MEAwmWXcAN8IQCc89ZEwXYzmAZCCQCM/k0+v result_proc0002_0002 > Le7FQ/o7AwAkMQh2vPG7g/AUUFCEn774vS67s/I5POC07ERCwgxUJApVhOCEnFsDwEujy+gIjVCkUlmFwSEhH/AqgeCErNoJwDXOO+iCDhCUuLhzvGVtq/6SsTCk68r7vgSa7+Sl4cCEQMT0PHJWP7wMEUAU8Ma7vJN/7/gjYOCUgsrvvqJb38wvcCDUcgR3vfSis/ebCqB0SXm7vNjSq/+HtwCkn/P4PFWK0+oNXnC0Hlr6Pk9oL/ezM3BUaBE4P result_proc0002_0002 > LZXoy+8LjVCU4pmFwdDkH/IreeCUXRoJwQFkk/EdMuBkFhFLwt9ny+8LWCB0v6eMwqz8s/Y5POCUCHRCw9cPL/mF1tCk8D9KwSfn6+S7w+CkVsxNwU6jK/EuFIDkD5cOwcIVt/qiNCDEqtOPwAuMD/OW5UC0M6LEwCosr/Uwv3Ckn7yJwem6j/CeHHDUZxvJwcGes/SofTCE0eCLw result_proc0002_0002 > LB+5GAdSjcBUmIwKw6f3QAJpRSAUvMAMwudnMAZFXC+j3dZKwnJEYAZ8J38DLQfIwuTgkABN6fAkCoSMwP9AqA1ALv+DKDzNw6fLlA9Mqr6zVDIOwCTAzA9OVG/DywmOwhj6PAxNzBC0HhmJwWb/JABs+JAkJZ/NwD7/lAhYybB0iKWNwqbHoANvalAkmDUKw result_proc0002_0002 17,18c17,18 < SCORE: -1.062 -14.096 1.810 14.833 0.045 1.972 -1.206 -3.054 0.000 -1.289 -0.832 0.000 0.000 0.000 0.096 8.575 -1.243 0.000 -4.695 -1.979 1.866 3.000 0.000 result_proc0002_0007 < ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]AKT[DTHR:protein_cutpoint_lower]D[DASP:protein_cutpoint_upper]D result_proc0002_0007 --- > SCORE: -3.202 -17.774 2.709 22.433 0.054 2.838 -0.213 -12.911 0.000 -3.298 -0.888 0.000 -1.075 0.000 1.810 8.562 -1.690 0.000 -4.695 0.934 1.111 5.000 0.000 result_proc0002_0003 > ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]A[ALA:protein_cutpoint_lower]K[LYS:protein_cutpoint_upper]T[DTHR]D[DASP]D result_proc0002_0003 20,26c20,26 < L9eqj/44AW8j6O+LwNHwr8KlXH6b6JpMw3kEj/qXIL5rfOfKwkcEv/O7Ti9TZhlJwjMNH/SqSP4jQXWPw09Gm+EzML4rH/2QwE6m4+gnLP/7HSJRw4uyC/GsFUAMc8ZRwlQl1/EiKHA8iSGRwm+iq/s5Ew+D3/JNwJaup+oazl+bQkxMwWG5V/KUTa+zOeVPw+Uix/WpVK7bKNrPwPrLp/gm0J6zRWpQwx0N99aHEw6zSpvRwWzn6/IxXFBMazRRwIaIHA9AoB/7Ai4Qw result_proc0002_0007 < L4L1y/WrZu+7W0qJwbs9JAv9L4+7lSPHwxJGCA3rld97Lq8BwmQwOAjPhF7rRlZ9vkCJeA3AB087z+hIwHbojAXstY+bFhLLwYY/tATc8x7L0n3LwcRZyAXW2u9ruWjOwkDW8A7AyR5rzzSPwv+ln/W02NAcuMfKwmM8NAvjPfA8yglGwayraAvCq46j+AvIwSKSlAPt8O9bS9BGwEgMlArj6QAsWnDLwAbqbAPreC+bxNxMwWqisA/9Na8Dwy8LwNo7zAjdUr8rEqUKwlVI0ALY6//b04dOwrqasArkhE9b6VDQwkHA/AXlxJ8bcniQwBsy6A/w8I9jbnaPw3EABBnzc76Lg34Nw result_proc0002_0007 < LXwfU/qDEr976nGBwrBjc+6bVP8bUg03vKT4i+S4Yy9DmWS0vj+3P+i51c/zycv9vfFKm/crhJ+Li5S2vz0aW+mtZb+LmwGEwyRTV/yJbD+rykGlv/sqz/oojM9rgYWZPVNRm/oVOKA89163vnMU5/8yUi8rz2g9v result_proc0002_0007 < Lw7Iz+CRGt+D6htvPeqHq+Wo1wA0Xvo1P14Qg/MEpXBEQTTuPUJCBAxgVyAEm9DzPPQfD/CsX8AEJtaBQ3x9+/iZunAUNTSDQma8BAnHh2A0LnoIQG4eYA/uThAEDzkJQ0jAbAju4tA0ahgMQFtHD/ymYq8DCyu5P6Bpj/K9BTB0wWGqPfeaC+QvWTA0GvnDQMcIr+q6W+B0DRiCQaY4KA3/JQBEaIKBQYXIDAj8GK/TEHZCQjBIt/6UcOAEExtJQm9D9/+DU5BUOJGJQxw9hAfrCKB0/aiIQaqJcAz2w9+jR8FJQ5XElAboJfAUTPDNQoKqQALHeHAkrifNQ4m8XAzIkrBUYa+MQ result_proc0002_0007 < LNhMd/0/XRCkQVIjv+2lCApo9mCU/xOyvJHXCARndsC0DJnAw7UmOA1yxFD0ra0CwNmuo/sVmUCEM4RDw25Bl/c2yWCELxiIwyrLFA9q8SDU+4IRPxSFm/oWQtD0dipov33BHANV7NDERnW8P7lib9o7UfCUUVeqv/+YQAFMUTCkW5HsvjQjTAxkjiDExW+qvSMVi/IAkuD0j7x5vXx2IAVCVtDUsGBAQVr6UAdTP6CUKqP+PxASx/gQn+C0GEc/P result_proc0002_0007 < LzGvo/M4mUCE+7RDwC2Bl/4G3WCkLyiIw1Gm4/MKHfBEPe3JwLwR2/AZxUBE3ZTMw4DXCAdXdsCkZ/mAwkvrn+ugIbCkN8XJwEMbc/GUwEDkPObIwRmfl+6zPlDkoEkIwpMLBAH5pDDkGLJHw5SFL/cgZAC0ICPBwrmX2/UFBzCkZVPJwX6XY/CYaACUV3jIwa6fx+qDjZCUVBjLw result_proc0002_0007 < L/77FAdh0nAEnyPIwmlPPABz3w+zIpPJwT397/sKsy6TPB2Jwcic3/M4Lk8LbMaIwfGKfAtxYP9Dt4bGw91KmAhrRu6bx9VIwdd0mAp2Xp7L8jvKwbTfqAlN2L+LGalFwou1GAZGI1A0L+iEw2qwXAxyeM/z8RGLwxqAlABUgM/DSAIFwaFiWANVap7DB16Cw result_proc0002_0007 --- > LvDQz/Ah6B8jqQUMwiI0w/MFbs97k3xLwsYm7+QUmd+raerJwO/X0+0AvVA8tSnIw38Mn/o+AZ/rLsWOwoqpDAJJu6+LNxSQwwhAaAllg1/bHF2Pw1WYdA1O+EBcAPHPweEukANTPB+bk9AQwccMU/MgB49jf9LNwNj0HAdejg+rdPALw54Bd+kCT1+rBBGPwn9im/M85wA8hc7NwnhQEAZSqI7LV3gQwQfH9/0/uAActVLRwdoQsA1Jlg+7tRkPwhHAjA1i3k2L/OUQw result_proc0002_0003 > L5hyv+O0g55bE5FJwNELx/Sx3o7boXxGwkP00/CLBj8Tk9iCwIa6W/GaDK/TxidCwDdBNAX5aC8LLKEJw0++RA3JUG9jwJlKw4b5iAr4Ie8DUgUMwCvhkAXDHq/DgdHOwNeGnAX0bDBklZjMwk8ZT+qQVt8THO2JwjyYt/e8M0+bBFtEw6aoaAb0F787OIjHwWLyLAvEmo+bGXhKwGoaEA74xE+jBQ2LwjJoUAXz2K/jHVKJwJF7pAHDY97T2LDLwKnEiAzBpK6riOkNwtoCrA73+Q/DrigPwYYjaADkpAAEqZRPwbcHoADYS1BknH0NwHVChAfzZQBE05RLwPc5tAz355Ak2JgLw result_proc0002_0003 > LFYQKAfzMB8zVjF+v4C6PAHnpJ/TrdY1vNco5/OHb9/Ts3HKPS4a1/ur9IBEZDHtPRgtb/SoDC+THo5pPiwNg+06li+T9o94PoQRhATpRT+DIO2TP/mmSA7GM46ryQ49v7StUATRacAkRfY7vMQSjAvO86/zogszP/qLoA7Vpr9z//OxvXdDeAvqvI6jhV4xP result_proc0002_0003 > Liqsb/+rJC+jpS6pPnDJg+Qssi+DAY+4PPmeq/8wf+/jLjJqPgXOGAZ7w2+D0VYTP+ao5/qRf9/zGgMKP+xYT/kzBb0bgug9PQa+B++MR/8b6qoCQ4UV9+gGxCAMBRrEQTv+5+WCGwAc7CSIQVtv/9AlABCcgERJQsUHj/+Wrs2jlErSvlAVA9SZn1/jeln/PLLrg/sAt58LvN81PhSr3/wFyh4jz81AQkajr+CvVB3r48BGQ33Wi/OZ2497wYoAQuTxL/AzJtAcGpTBQ1zbt/UN2p/754sGQFfiJ/mdoGAcXP/JQHg2s/+kk9AM8tlGQ0vdB/qWBPCc8/iKQJhil+YDwUCsO3ZHQNltf/01N2BM0FOKQ result_proc0002_0003 > Lergh/MrxOB0t+hXvH38AA1ILDCEBgZyvdSA4/cXjMC0vwcAwoaFJApSLfC01PTDwiv0CAJ2gtC0LXRgPtj1a/MTiDD0p+qcP9PIJA1QClCU1/l8PeOs39AJUlB06QIYPgMWQABmqlBkd9rxvmk6OAVCuBD0xXzqv8HxU+QMDvCETa1RPweYKA5FUDDUJ+bAQGegYAVcnUC0nsz8PkoC6/IJGRC05jMAQ result_proc0002_0003 > LkpJE/IaF/Bkd3NCwEsHp9wz1KCUSGiHwm+rJ/oI/ZBkEx4JwTxkq9WcppAkGRKLw/uXu/WbaJCEKEtHwBSYAADzecCUjIaKwzN+p/Kc/yC0XwwLwCEtSAjpWUCET5+KwNrTf8OntaBEOYo/vuu6z+0QVrCkRSOIwAPT7/uf6aCkp5SEw14I5/m5qQBkhTXHw result_proc0002_0003 > L8C6+/8ZpdBUpdQKw8f/JAFmEtAkNrXMwXp2KAlkMc+z5NsLw7QyaAxxR78D83nKwhfVgAZ40OB0c11Mwxi3lA5LKkAEaFNPwKfggANGk0/DkZXQwOiZvAdt2tAUPcdPw/sXIA9ZhBCEpzCJwjq0AAZFq0AUKcNOwdvCgAR4zJCEzqMNwO6JlA5pYEBEsYDLw result_proc0002_0003 30c30,43 < SCORE: 1.828 -14.114 2.225 15.162 0.048 2.108 -1.282 -2.065 0.000 -0.983 0.000 -1.039 0.000 0.000 0.300 8.115 -0.986 0.000 -4.695 -0.966 1.905 1.000 0.000 result_proc0002_0001 --- > SCORE: -2.628 -16.883 1.569 19.781 0.047 2.249 -0.400 -6.998 0.000 -2.053 0.000 0.000 -2.456 0.000 0.365 7.750 -1.837 0.000 -4.695 0.932 0.712 3.000 0.000 result_proc0002_0009 > ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]AK[LYS:protein_cutpoint_lower]T[DTHR:protein_cutpoint_upper]D[DASP]D result_proc0002_0009 > NONCANONICAL_CONNECTION: 7 C 1 N > Lspd0/MWGY5LlXxLwKKxn/8R1s+LXjIKwsHMJ+iO3U+LetAJwFUHO/6+jEAMWMkHwPa+p/I/SpA8euwLwS5RLAh41/AsNwvMwmC/aA937MBc4DeKwVOgXA5HJBC8g8sIwRzMmAlPPcA8C7fKwtUVp/USTP47iZqNwEf29/ke+2+rjDdIwmmIK/gUHkAM66fNw9tvc/knbeBc3KjKwMJLRA5p5LAcbEAOwXVcKAB086BcKj5NwD8qrA1qAiAsFFDJwy+SnAB1ij/LEF+Lw result_proc0002_0009 > LrDbO/CwcoyTPKcJwOHJBAb75l6T03fIwobrAAPofu9TxOaDwkOMw/uyVBAkkZmCw4hcMA3Yui+T/KcKw3d0hAXyNJ/DnduJwEjBnADZIeAkhszLwQgmyAntpxAkX7FLwjAz3A3n6pBERMHNwGkaV+aKc68jqccKwazMKATqRb8reGZIwohMMAXsxX9zmfcMwAp1DAzl/NAkYWhKwdRJiAjgQEAUZSkHwMJTmADYtj8jYWmJwKdymAbPg9/jqXwNwItmiAD8GaB0HY8LwkS6yAPoJRBEwrJJw/XG3ADKGs/jCW9KwOoc/AX4S1BUORkMwbJs3ArsxMB0rp6OwjXyzAT/8QCUdjONw result_proc0002_0009 > Lbf9JAfnMi5TGYI/vHi6KAT6yy8zabPwvb1mq/m8KP8jo5NjPBIbn/OMiYz76wB6P76CcA7DWf1LipWoPunhQAHKWs8bXveAwGKCPAHP9g/jfvjwveBkcALdYg6jtxS6PHAylArITR3DmphlvbgTYAHDGP+7S1doP result_proc0002_0009 > LPeil+yL8M+z5heuvXr6g/QOCU+Dq8PiPHQXy/k/ClAkY8niPGq6IAJi83A0ITh1PFQeb/E4RdB0jBhxvy3Jr/cnPbCUw22yvVE6//onem5DPPIxvoqX0/s1Pg+Lb7bvv0UbLA5H1HAc3A54vh2DGABvcmB8Hns3vPt6WA954OCs8Po8vopK2+iyA++T9ZB7v4Mac/kx3T9zrkk5PnemAAlIj+7DyTA9vLDAQABT+y6jtTWivCriw/UNkE/LibBxPBPWM/4/s2+rm+93vgnANAdhqv/71JrAwgcsaAB2Q3/rnK7xvr2TEAth32BsjmKZPqw1t/o8fzBsDz27vawwSAVZ8tCcB0x7v8IeYAVR9HCs5kPCwPOfiAFvkJC8E834v result_proc0002_0009 > LqWab/ofMdB0tYhxvx+Cr/ERObCESZ4yvDKNy/0OsoC0EegAwE+iCAliLKDEDElBw3dYy/AuElA0GVpiPQhRn+os+4Ck+wENvTdJc/ubq1CkjGnzvXq/x9Mx6sC0hvd7P2DuA+ougJBUy4B5vm1oEAZGzeCEcpbhvYH7J/wd+ZDUF3gavORUR/q3gwCEqdQ9vd74I/SjSCDU1PC/PS8Uh/AvwvCU8Bx/PTtPh+SYDMCkZv97P result_proc0002_0009 > LggAj/80ZOC0JkOEw4mvl/0dnYCkRD9IwtByo/QoTgBEoFpKwYCei+cO91A0tRKLwb1jC9yT+yCUvN1Jwlesf9UUHCDE7EuMwiOLg/I8f2CUk0COwd7vT/iTJZD07vkNwCHaK/UkQlBU91FDwOgSBAN0grCUqlSJwWohC+663ODE/biIwkOGc/uz2fC0g4mJw result_proc0002_0009 > LaQ0HAFgILBEerfLw/HGMAlSKx/jRqvMwmfJHANKb88jtx1Kwvh3OANdd18zp2kIwhWuhAlgYm/jEspNwlg8jAxlCX8z6laPwClPhA97ai8zJf3QwOnUoAJPz76L9XbOwQm7TAp/T1B0yZRLwi6zBAFQTk/jgqfOw2d0jAZJ8sAEZewOwaU7mAx8Ig/DV15Lw result_proc0002_0009 > SEQUENCE: QKAKTDD > SCORE: score fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro RMSD HBOND_COUNT CIS_PEPTIDE_BOND_COUNT description > REMARK BINARY SILENTFILE > SCORE: 1.819 -14.109 2.225 15.160 0.048 2.109 -1.284 -2.061 0.000 -0.983 0.000 -1.040 0.000 0.000 0.298 8.114 -0.990 0.000 -4.695 -0.974 1.904 1.000 0.000 result_proc0002_0001 33,39c46,52 < L0Bac/Ea8l8Dm72MwvO6c8Ab7w7rKdpMw+GMg/qLay5LU3bKwtFjn/q5Hm9jxpmJwR28M/+N8y87MHUPwkFfa+4QE697fz0QwtQNg/UvGRA8xppQw8+S2+wgsVBM0ldQwapRFA5xBLAMtntQw/86G/AziE/T9SjNwf3LF/E1Fv+LGkJMwwKlp/+UJ34DDvzPwV4Us/OFiF/rpDIPwEuPc/MTig47aU6QwExeu+SuAH+LuLvRwprVOAtDZ/A82tmQw8VLMAZORk+Lfg3Qw result_proc0002_0001 < LBjtz/e6so+rTRfJwSgyKALN0c+rj6+GwpfXCAzqem8r93vBwr1cOAbLRh27mIN9vLNSdA3ww96rgViIwIvbjAjNib9rTYKLwwNAtAvcO6wbkw+Lwo2mxAXJnx7rWJpOw7ow6A3k1/6TnwgPwuO3q/eqkOAcA4KKwGqwQAf7rOAs26KGw/TzXALtXn8zhT1IwKpBlA7afw6bNnGGwmM/lAHbiy/bUj8KwH0yaATY5O9bQyuMw+EkqAzTJE+zj4JMw6vMzADmop2LIBdKwJuU0AfQXA/by4dOwnzZrAXbSd7bhhFQw44k9A/UyZ0zmApQw2vS4A3Nbq+Df9tPwbMUABzWXp6zlIIOw result_proc0002_0001 < LlFSW/6HIO9LAg1AwbFKe+CyJa7LFcA3vkTe4+yLVH+zTsdyvqp2x+6LWx/jWYg8vqqpn/QynF9bcN72v+M2h+iXCZ+bFVvDwrvSP/eCs89r9WVhv1Tq1/wcQ377L1mLP39mr/8GLs/7KWo4vJnr3/kiRy579u59v result_proc0002_0001 < LWEyK/mZgx+jFrzxPPHiP/6s0xA0BFV4PP5fE/8CXgBkz0f0Pbggz/ITcJB02kr6P+aEB/oJ7QC0uvWYvW8d2/0S4pC0FP0svfzZj/apS3A0HPGCQzTGo/OHFJC0OKOEQ8PA4/esMJCUDI/IQmgG8/uQj2CU0EEKQOEzFAzOK3CEAL4MQyPwS/CGfn8zJGY6PROqw/KBxRBEn8yuPzCxAAT/6VAEW6yCQIXir+qkOXAkeydEQ5I4k+qRSZCUvEDEQcpt+/qNqaCE9IvBQEtlLAzVJzBUzfFJQ2Dsh/+K4uB0KcPKQzoLa/GhYGDUAY+JQFFPJAncjIDEh40IQbZ8GAPwvVDk8AhNQ3+UUArVEpCESm+MQ0gy2/qMFnC0eUDOQ result_proc0002_0001 < LozEB/8x6QC0wVVYvAGe2/U33pCEhL0svIFjAA5sRmCkHBE/v7DpPAR/S6C0u3dBwIlgE/gWWgB0nAg0PAjhw/AlRZDEUXuLv8vnz+0FrqDkcM6zvVAho/oV1dDEE8w7PDZGv+O6tYC07HlvvNQwIAFmPdCUOEhiPV8mGAlAKrD09ZSpvKLQL/AjaxD0FDI9vZwZk/wgi/DUPKw9Pcs2BAZr9QDkBmFAQg6wu+wSRMDkRD89P result_proc0002_0001 < LHIHo/oEpMC0ZjZCwKD+r/AIwJCkuZGIwFAHCAdgKDBUEO7IwtUpGAZ+vLAU0giGwTMsG8OZ9JC0EOaJw7pDq8g0bZCkcATMwks+i/MgugC0h9TNwU87g/eF0dCUMadNwBsvD/k2Y1B0BygAwX/z9/AuflCEz5zIwokcL/SuleC0tQRIw+Ks2+mbeTB05ZXJw result_proc0002_0001 < LviUHAxEO9AUDrfLw44dRAlSkh/zZdlMw1+hDAdI2H8zpWKMwf6HLAltAB8L3VOLwKAtjAVvUF/zbGTLwGM1qAl6zb8jfq6MwEqVpABhfG8T5FTPwstsxAtUp+w7wWwLwGELEAdx7uBEnXuMwEUqTAh7fz/TSwuOwWMxnAhy+fA0e2ELwdrqiA55lP+jAXTJw result_proc0002_0001 --- > LBdfc/YeYl8TmD3Mwi2Hk8gUjy7bSSpMwo9Ig/e2+z5bm4bKwNPgn/aB4l9jb4mJwOurM/6H808b+7TPw9Y5b+4xn89Lan0Qw7ueg/QJlRAc3HpQwuet3+gLNWBMPxcQwZJaFAtoULAsAItQwIn8G/0LFE/jWxjNwRYbF/40Tv+bQBJMwCWep/OTst4TT8zPwDZKs/6lmG/7npHPwPXec/8OVp4bcT6Qwt0rt+yi6I+rv/uRwFJgOAxnk/A8WAmQwNtRMAxG0k+LQQ3Qw result_proc0002_0001 > L5Nsz/CVzo+b4NfJw2BzKAnLuc+7OK/Gw2UZCA/IDm87CGwBwIEfOAD8/Y2rQpO9vbmRdAnHU96bcviIwdWajALjXb9rc5KLwga+sAfFOuw7rj/Lw06jxADgUx7L1DqOwGQt6ArhLA7Di8hPwBo1q/y4pOAM5oKKw2/xQA/SnOA8eCLGwCMyXAj8jn8zDr1Iw9+BlALZ1v6bexHGw7+9lAPfcy/7yG9KwtsuaADpzO9LMJvMwbIiqAD3OE+D8oKMwrnLzALcpn2L/+dKwv8R0AjASA/Lb2eOwiMWrAztId7LV5FQw+vg9AfGEc0jxopQwJMP4AjIgq+jkGvPwnzSAB7j1p6DyeJOw result_proc0002_0001 > LdFcW/e9KO97HG1AwvFQf+iFpa7bOs92vYvp4+uTSH+jxIcyv/5rx+ijNx/jX2f8vwNfn/gXwG9bbC12vxsDi+6ELZ+L4ouDwnkwP/WDi897IlNhvsDd1/gjz57L6PGPPf/Xr/sWys/7c2k4vYQn3/Qlb45bAP29v result_proc0002_0001 > LLQ6K/uOox+TNx0xPathP/aZ6xAkfFV4POLkE/EUUgBkr2e0PnMjz/0ONJBUD1p6P+wKB/kJ9QC0ndOYvs/i2/Q32pCk7ezsvcbYj/mJf3AkEQGCQbt8n/mqMJCkRBOEQb+33/yaYJC0rB/IQfn17/GKw2CEK6DKQFMrFAPMb3Cki+3MQsdAT/aZ6n8zV2Y6P97ow/KY5RBkxqyuPqxxAAnZSWAknCzCQNCnr+CkTXAER0dEQ3KFk+O3TZC07/CEQPFg+/mn1aC0Q3uBQGKjLAHatzBUEXFJQU9nh/yfHvBU7ZPKQAcjZ/+JfGDEgP+JQ3iEJAHa0IDU0p0IQAmxGAXYBWDUpxgNQXiOUA3KbpCEvX+MQRhm2/uYSnCUuLDOQ result_proc0002_0001 > LrJLB/cx8QCUnCNYvzJj2/YY2pCETgzsvy1jAA9QRmC0OEE/vkZpPABgS6C09GeBwS5kE/AnTgB0rCf0PUXsw/YKQZDEn16KvtjV0+AmuqDkvN3zv54uo/UiydDU55x7P157u+6/0YC0O7evvVuyIA9dKdCUTqdiPSFtGAx5FrD0L5Ppv1hhL/AlXxDkVJH9vysrk/oxf/Dk7kx9Pqa9BApH3QDkX0FAQGxiv+EMRMDkyM99P result_proc0002_0001 > LZlGo/clpMCUdbZCwJF7r/cnwJCUjWGIwN2FCAdENDBEpP7Iw1CpGAppyLAEToiGwk66O8+S8JCERBaJwdvqi8YGcZCUDySMw2G2i/YJwgCU02TNwdmEh/aC0dCU7CdNwY1uD/8Yb1BUihgAwtcv9/QyglC036zIwN3kL/eCjeCU48QIwJG22+y3aTBE6NXJw result_proc0002_0001 > LtrSHAp2R9A0OufLwVLdRAR3xh/DEjlMwsMjDANp+H8zKTKMwodKLAx2eA8rRBOLw9GtjAd9yF/TLWTLwKU1qAxFwc8zu56MwdcUpANXoG8D7PTPwWMuxAFJteuL1qwLwl1HEARX+uBESauMwIYoTAd4sz/TR3uOwh4wnAZaQgAEPTFLwpiriApAMQ+T4hTJw result_proc0002_0001