Gear Reference

Submodules

• Clean output from step folders
• Configuration file I/O
• Expandable parameters
• Start from copy
• Greetings messages
• HADDOCK models
• Known CNS errors
• Parameters helper
• Prepare run
• PDB preprocessing
• Restart run
• Validations
• YAML configs
• Zero fill prefix

Module contents

Contain modules to address specific implementation ideas.

Each python module in this package should encapsulate all specific logic regarding on implementation idea. For example, you wish to defined the whole logic referring to the preparation steps before the run.