Calculates the Conserved Water Statistics for
ConservedWaters()
ConservedWaterStats(h2o.cluster, num.h2o.inital, num.pdbs.got.h2o)Conserved water cluster
Number of initial waters
Number of PDB structures with waters
A table with the following information is returned:
Number of structures
Number of initial waters
Number of waters used in the calculations
Number of water clusters
Average water conservation
Number of conserved waters with
< 50% conservation
50 - 69% conservation
70 - 79% conservation
80 - 89% conservation
90 - 99% conservation
100% conservation
Number of pairwise distances evaluated
Amount of memory used by the pairwise diatance matrix
Pairwise distance calculation time
Cluster centroid distance calculation time
Calculates the statistics for each conserved water analysis
performed by ConservedWaters(). This summary information is useful for
timings information and is written to the Excel workbook.
Other "vanddraabe utilities": FreeSASAcheck