`ovo.core.database.models_bindcraft`¶

Module Contents¶

Classes¶

`BindCraftParams`
`BindCraftBinderDesignWorkflow`	Dataclass for BindCraft binder design workflow.

API¶

class ovo.core.database.models_bindcraft.BindCraftParams¶

Bases: ovo.core.database.models.WorkflowParams

input_pdb_path: str¶: ‘field(…)’

target_chains: str¶: None

binder_length: str¶: ‘70,150’

hotspots: str | None¶: None

number_of_final_designs: int¶: 2

time_limit_hours: int¶: 24

filter_type: str¶: ‘Default’

design_protocol: str¶: ‘Default’

interface_protocol: str¶: ‘AlphaFold2’

template_protocol: str¶: ‘Default’

prediction_protocol: str¶: ‘Default’

custom_advanced_settings: dict¶: None

custom_filter_settings: dict¶: None

num_replicas: int¶: 1

classmethod from_dict(data)¶

validate()¶

class ovo.core.database.models_bindcraft.BindCraftBinderDesignWorkflow¶

Bases: ovo.core.database.models.DesignWorkflow

Dataclass for BindCraft binder design workflow.

bindcraft_params: ovo.core.database.models_bindcraft.BindCraftParams | None¶: ‘field(…)’

input_name: str | None¶: None

selected_segments: list[str] | None¶: None

chains: dict | None¶: None

get_input_pdb_paths()¶

get_input_pdb_path()¶

get_selected_segments()¶

set_selected_segments(segments: list[str])¶

get_pipeline_name() → str¶

prepare_params(workdir: str) → dict¶

process_results(job: ovo.core.database.models.DesignJob, callback: Callable = None) → list[ovo.core.database.models.Base]¶: Process results of a successful workflow - download files from workdir, create Design and DescriptorValue objects

classmethod visualize_single_design_structures(design_id: str)¶: Visualize single design structures in Streamlit

classmethod get_download_fields()¶

get_settings_paths()¶