4.1. ligandparam.stages.initialize

class ligandparam.stages.initialize.StageInitialize(name, base_cls=None)[source]

Bases: AbstractStage

This class is used to initialize from pdb to mol2 file using Antechamber.

Parameters:

  • name (str) – Name of the stage.

  • base_cls (object) – Object of the base class.

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 StageInitialize 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