Running: sbl-ballcovor-pdb-U.exe -f data/1vfb.pdb --n-inner-balls 20 --outer --interpolated -d results -v -o -l Particle Annotator Statistics: Molecular Geometry Loader Statistics: Number of loaded PDB files: 1 Details for each file: -- file 1: -- -- Number of models: 1 -- -- Number of loaded atoms: 2779 -- -- Number of discarded waters: 0 -- -- Number of discarded hetatoms: 0 -- -- Number of discarded hydrogens: 677 -- -- Number of discarded atoms: 0 -- -- No alternate location -- -- Number of atoms with not null occupancy < 1: 0 -- -- Number of atoms with null occupancy: 0 Alpha Complex (no loop) Running instance Statistics: Statistics for instance Triangulation: -- number of finite simplices (from vertices to tetrahedra): 2779 21162 36685 18301 Alpha-complex: -- number of finite simplices (from vertices to tetrahedra): 2779 18725 30359 14405 -- Betti numbers (d=0, 1, 2): 1 7 14 -- Euler characteristic: 8 Boundary (no loop) Running instance Statistics: Statistics for instance Number of items on the boundary: -- (vertices / halfedges / faces): 3098 9306 1578 Surface / Volume (no loop) Running instance Statistics: Statistics for instance Total volume : 65431.38852 Total surface area: 14862.72430 Inner Approximation (no loop) Running instance  particles, arrangements, selection ratio, volume ratio, ccs: 2779, 1/9627, 0.000360, 0.066022, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 2/9627, 0.000720, 0.109708, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 3/9627, 0.001080, 0.139069, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 4/9627, 0.001439, 0.167540, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 5/9627, 0.001799, 0.193579, 2 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 6/9627, 0.002159, 0.218538, 2 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 7/9627, 0.002519, 0.243194, 3 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 8/9627, 0.002879, 0.263477, 3 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 9/9627, 0.003239, 0.283554, 3 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 10/9627, 0.003598, 0.301163, 3 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 11/9627, 0.003958, 0.317650, 3 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 12/9627, 0.004318, 0.333020, 2 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 13/9627, 0.004678, 0.347083, 2 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 14/9627, 0.005038, 0.360909, 2 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 15/9627, 0.005398, 0.373579, 2 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 16/9627, 0.005757, 0.385521, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 17/9627, 0.006117, 0.396374, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 18/9627, 0.006477, 0.406256, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 19/9627, 0.006837, 0.416056, 1 particles, arrangements, selection ratio, volume ratio, ccs: 2779, 20/9627, 0.007197, 0.425841, 1 Statistics: Statistics for instance  particles, arrangements, selection ratio, volume ratio, ccs: 2779, 20/9627, 0.007197, 0.425841, 1 Report... Outer Approximation (no loop) Running instance Statistics: Statistics for instance Report... Interpolated Approximation (no loop) Running instance Statistics: Statistics for instance Report... End Run General Statistics: Times elapsed for computations (in seconds): -- Alpha Complex (no loop): 0.148000 -- Boundary (no loop): 0.108000 -- Surface / Volume (no loop): 1.549000 -- Inner Approximation (no loop): 49.687000 -- Outer Approximation (no loop): 133.057000 -- Interpolated Approximation (no loop): 0.776000 Total: 185.325000