Package schrodinger :: Package application :: Package desmond :: Module system_builder_util :: Class DesmondBoxSize

Class DesmondBoxSize

Instance Methods

__init__(self, **kwargs)

update(self, **kwargs)

getStructureSize(self, st)
Returns the a, b, & c absolute coordinates, even when the user specified buffer distances Returns None if there are no atoms in the Workspace

getBoxVectors(self, st)
Returns the vectors representing the box.

calculateVolume(self, st)
Will return 0 on error (after showing dialog)

findMinVolume(self, st)

translateCentroidToOrigin(self, strucs)

minimizeVolume(self, strucs)

Method Details

[hide private]

getBoxVectors(self, st)

Returns the vectors representing the box. Origin is the back face bottom left. Returns None on error (after displaying a dialog box)