Analysis Modules

Subpackages

• Alanine Scanning module
• CAPRI Evaluation module
• FCC Clustering module
• RMSD Clustering module
• Contact Map module
• Interface Ligand RMSD Matrix calculation module
• RMSD Matrix calculation module
• Selection of top models module
• Selection of top clusters module

Module contents

HADDOCK3 modules related to model analysis.

haddock.modules.analysis.confirm_resdic_chainid_length(params: Iterable[str]) → None

Confirm resdic params have chain IDs of length one.

Parameters:

params (dict, or list of keys) – The parameters.

Raises:

ValueError – If a resdic_* parameter has chain IDs with more than one letter. For example, resdic_AB.

haddock.modules.analysis.get_analysis_exec_mode(mode: str) → str

Get the execution mode for analysis modules.

Parameters:

exec_mode (str) – The execution mode to use.

Returns:

str – The execution mode to use for the analysis modules. If it’s “batch”, it will be changed to “local”.