TARIS-BuildTree

TARIS-BuildTree

Produces files in GML format containing the information that allows
to visualize the corresponding molecule's tree, taking as parameters
the .cube file, the initial cutoff, the final cutoff and the step-size
for the scan

Syntax:
   $ TARIS-BuildTree -c file [PARAMETERS]

Required parameters:
   -c   file
           This is the name of the cube file containing the electrostatic
           potential data

Optional parameters:
   -b   cutoffBegin
           Initial cutoff for the scan
           (default=-0.1)
   -e   cutoffEnd
           Final cutoff for the scan
           (default=-0.07)
   -s   stepSize
           Step-size for the scan
           (default=-0.005)
   -o   output
           Name of the gml output file
           (default=screen)

For example:
   $ TARIS-BuildTree -c file.cube -o file.gml