Selection of top models module

Module contents

Select a number of models.

This module selects a number of models from the input models. By default, the selection is based on the HADDOCK score of the models.

The number of models to be selected is defined by the parameter select. In the standard HADDOCK protocol, this number is 200, which can be increased if more models should be refined.

class haddock.modules.analysis.seletop.HaddockModule(order: int, path: Path, *ignore: Any, init_params: str | Path = PosixPath('/opt/hostedtoolcache/Python/3.10.15/x64/lib/python3.10/site-packages/haddock/modules/analysis/seletop/defaults.yaml'), **everything: Any)[source]

Bases: BaseHaddockModule

HADDOCK3 module to select top cluster/model.

classmethod confirm_installation() → None[source]: Confirm if module is installed.

name: str = 'seletop'

Default Parameters

Easy

select

default: 200
type: integer
title: Number of best-ranked models to select
min: 1
max: 50000
short description: Number of best-ranked models to select for further steps of the workflow
long description: Number of best-ranked models to select for further steps of the workflow. Typically only 200 models produced at the rigid-body docking stage are selected for further refinement.
group: analysis
explevel: easy