Meeko config

Implementation for the yaml class to write configuration for Meeko.

MeekoConfig(file_path, data_dict=None)

Bases: YamlConfig

Class to handle YAML configuration files for Meeko receptor preparation.

Initialize with the path to the YAML file. Args: file_path : Path to the YAML configuration file. data_dict : Dictionary to create the YAML file if it doesn't exist.

declare_defaults()

Declare default settings for meeko config (grouped under meeko).

validate()

Validate the current configuration against allowed values.