Running: ../src/Conformational_ensemble_comparison/build/sbl-conf-ensemble-comparison-lrmsd.exe --config-file config_sbl-conf-ensemble-comparison_bln69.txt Conformations Loader Statistics: Conformations File Loader statistics: Number of loaded conformations ensembles: 2 Details for each ensemble: -- ensemble 1: -- -- Dimension: 207 -- -- Number of conformations: 100 -- ensemble 2: -- -- Dimension: 207 -- -- Number of conformations: 10 Target Spatial Search Statistics: Source Spatial Search Statistics: MSF analysis Computing nearest neighbors of sources... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** Computing nearest neighbors of targets... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** Statistics: -- Number of source vertices with n ingoing edges (#ingoing edges, #vertices): (1, 5) (5, 1) -- Number of target vertices with n ingoing edges (#ingoing edges, #vertices): (3, 1) (6, 1) (11, 1) (16, 1) (27, 1) (37, 1) -- Statistics on distances from source (sum, mean, min, max): (21.373086, 0.213731, 0.000004, 0.484014) -- Statistics on distances from target (sum, mean, min, max): (0.672836, 0.067284, 0.000000, 0.167347) Report... Symmetric difference analysis Statistics: -- 5 common conformations. -- 19 conformations in first found in second ensemble. -- 5 conformations in second found in first ensemble. Report... Hausdorff Distance Comparison Statistics: Haudorff Distance statistics... -- One way : min / mean / max: 0.000004 0.213731 0.484014 one sided Hausdorff distance: 0.484014 -- Opposite way : min / mean / max: 0.000004 0.001364 0.167347 one sided Hausdorff distance: 0.167347 -- Hausdorff distance: 0.167347 Report... End Run General Statistics: Times elapsed for computations (in seconds): -- Source Spatial Search: 0.000011 -- Target Spatial Search: 0.000009 -- MSF analysis: 0.152192 -- Hausdorff Distance Comparison: 0.000070 -- Symmetric difference analysis: 0.000128 Total: 0.152411