Statistic

Example application for calculating the statistic of the descriptor entries in a multiple molecule file.

Options

sh statistic.sh inputType inputFile outputFile

inputType

Input/Output type of the molecule file with descriptor values.

inputFile

The input file.

outputFile

The output file.

Note that for a filname e.g. test.sdf the statistic and the descriptor binning will be always stored in the files test.sdf.statistic and test.sdf.binning independently from the given output file in the command line.