LightDock sampling module

Module contents

LightDock integration sampling module.

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

Bases: BaseHaddockModule

HADDOCK3 Lightdock module.

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

name: str = 'lightdock'

Default Parameters

Easy

glowworms

default: 200
type: integer
title: No title yet
min: -9999
max: 9999
short description: No short description yet
long description: No long description yet
group: sampling
explevel: easy

ligand_active

default: ‘’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: restraints
explevel: easy

ligand_chains

default: ‘B’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: restraints
explevel: easy

ligand_passive

default: ‘’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: restraints
explevel: easy

noh

default: True
type: boolean
title: No title yet
short description: No short description yet
long description: No long description yet
group: topology
explevel: easy

noxt

default: True
type: boolean
title: No title yet
short description: No short description yet
long description: No long description yet
group: topology
explevel: easy

receptor_active

default: ‘’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: restraints
explevel: easy

receptor_chains

default: ‘A’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: restraints
explevel: easy

receptor_passive

default: ‘’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: restraints
explevel: easy

restraints

default: False
type: boolean
title: No title yet
short description: No short description yet
long description: No long description yet
group: distance restraints
explevel: easy

scoring

default: ‘fastdfire’
type: string
title: No title yet
short description: No short description yet
long description: No long description yet
group: scoring
explevel: easy

steps

default: 100
type: integer
title: No title yet
min: -9999
max: 9999
short description: No short description yet
long description: No long description yet
group: sampling
explevel: easy

swarms

default: 400
type: integer
title: No title yet
min: -9999
max: 9999
short description: No short description yet
long description: No long description yet
group: sampling
explevel: easy

top

default: 10
type: integer
title: No title yet
min: -9999
max: 9999
short description: No short description yet
long description: No long description yet
group: analysis
explevel: easy