4.6. ligandparam.stages.leap

class ligandparam.stages.leap.StageLeap(name, base_cls=None)[source]

Bases: AbstractStage

This is class to run a basic leap calculations on the ligand.

Methods

add_required(filename)

Add a required file to the stage.

list_files_in_directory(directory)

List all the files in a directory.

append_stage

clean

execute

Initialize the StageLeap class.

Parameters:

  • name (str) – The name of the stage

  • base_cls (Ligand) – The base class of the ligand

Methods

add_required(filename)

Add a required file to the stage.

list_files_in_directory(directory)

List all the files in a directory.

append_stage

clean

execute