Branch: rosetta:commits 「revision: №20464」
Test: mac.clang.python39.integration
SubTest: rdkit_metrics
SubTest files: 「file-system-view」
Daemon: hojo-4    
State: rdkit_metrics

Brief Diff: Files /home/benchmark/working_dir/main:62124/rdkit_metrics/7cpa_input_0001.pdb and /home/benchmark/working_dir/commits:20464/rdkit_metrics/7cpa_input_0001.pdb differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62124/rdkit_metrics/7cpa_input_0001.pdb /home/benchmark/working_dir/commits:20464/rdkit_metrics/7cpa_input_0001.pdb 4889,4900c4889,4904 < HETATM 4873 O WAT W 340 3.959 33.445 -8.799 1.00 11.72 O < HETATM 4874 H1 WAT W 340 3.858 32.525 -8.555 1.00 0.00 H < HETATM 4875 H2 WAT W 340 4.808 33.698 -8.436 1.00 0.00 H < HETATM 4876 O WAT W 441 0.354 31.523 3.090 1.00 32.86 O < HETATM 4877 H1 WAT W 441 0.368 30.569 3.020 1.00 0.00 H < HETATM 4878 H2 WAT W 441 -0.228 31.701 3.829 1.00 0.00 H < HETATM 4879 O WAT W 516 0.596 29.525 4.629 1.00 45.28 O < HETATM 4880 H1 WAT W 516 0.588 28.579 4.483 1.00 0.00 H < HETATM 4881 H2 WAT W 516 1.292 29.663 5.272 1.00 0.00 H < HETATM 4882 O WAT W 343 -3.364 26.357 -13.631 1.00 15.55 O < HETATM 4883 H1 WAT W 343 -3.224 25.525 -13.179 1.00 0.00 H < HETATM 4884 H2 WAT W 343 -4.289 26.556 -13.487 1.00 0.00 H --- > TER > HETATM 4874 O WAT W 340 3.959 33.445 -8.799 1.00 11.72 O > HETATM 4875 H1 WAT W 340 3.858 32.525 -8.555 1.00 0.00 H > HETATM 4876 H2 WAT W 340 4.808 33.698 -8.436 1.00 0.00 H > TER > HETATM 4878 O WAT W 441 0.354 31.523 3.090 1.00 32.86 O > HETATM 4879 H1 WAT W 441 0.368 30.569 3.020 1.00 0.00 H > HETATM 4880 H2 WAT W 441 -0.228 31.701 3.829 1.00 0.00 H > TER > HETATM 4882 O WAT W 516 0.596 29.525 4.629 1.00 45.28 O > HETATM 4883 H1 WAT W 516 0.588 28.579 4.483 1.00 0.00 H > HETATM 4884 H2 WAT W 516 1.292 29.663 5.272 1.00 0.00 H > TER > HETATM 4886 O WAT W 343 -3.364 26.357 -13.631 1.00 15.55 O > HETATM 4887 H1 WAT W 343 -3.224 25.525 -13.179 1.00 0.00 H > HETATM 4888 H2 WAT W 343 -4.289 26.556 -13.487 1.00 0.00 H