There are 28 ligand heavy atoms Ligand center of coords (x y z): 13.6993571428571 23.679 46.7412857142857 useligsph flag does not exist. Starting number of spheres from all_spheres.sph cluster 0: 1292 FINISHED READING IN FILE all_spheres.sph CLUSTER 0 Number of sphere points after cutting off spheres too far from center of ligand (12 angstroms): 820 Number of spheres after removing too far (>7 angstroms) and too close to receptor (<1.2 angstroms): 819 Number of spheres polar: 202, nonpolar: 525, out of current total: 819 Extents of grid to search are X1 X2 Y1 Y2 Z1 Z2: 1.73597 25.48186 11.75784 35.67299 34.74878 58.71461 Number of spheres after removing spheres too close to each other (approximately <1.5 angstroms): 275 Number of spheres after second pass removing spheres absolutely <0.8 from each other: 222 No crystallographic spheres present, so determining sphere nearest center of ligand (x y z): 13.6993571428571 23.679 46.7412857142857 Center point: 56 xyz: 14.46959 24.48108 47.05855 After continuity checking, number of spheres is: 121 Spheres center of coords (x y z): 12.8098917355372 26.2599775206612 43.9589908264463 Not crystallographic ligand, so keeping spheres closest to center of receptor, center of ligand, and center of spheres Receptor center of coords (x y z): 13.6407945922372 22.7318556476232 57.8884020933275 Average weighted-distance for final elimination is: 28.7031952812553 Final number of output spheres is: 120 Number of polar spheres: 23 Number of nonpolar spheres: 89 Number of spheres that are near neither polar nor nonpolar receptor atoms: 8 Final number of spheres that are from crystallographic ligand: 0