2024/11/27 09:59:11

Focus on

1. add scripts (lazydock-cli) functionality

What's New

• addon: lazydock\gmx\sort_mol2_bonds.py
• add scripts (lazydock-cli) functionality
• addon: lazydock\utils.py: add get_storage_path function
  The function returns the absolute path to a sub-path within the storage directory
• addon: lazydock\scripts\sort_mol2_bonds.py: add sort_mol2_bonds.py for sorting mol2 bonds by atom index
  Implement a new script for sorting bonds in mol2 files based on atom index
  Add command-line argument parsing for input file/dir, suffix, and recursive search
  Include utility functions for path cleaning and argument display
  Handle both single file and directory input with optional recursive search

Minor Addon

• minor-addon: lazydock__init__.py: Add version information.

BUG-FIX

• fix-bug: lazydock_pymol_plugin\main.py: correct box size calculation in GUILauncher
  Update the getter_fn to properly handle scale for grid_center and grid_size
  Fix grid_size calculation by applying the correct scale factor

CODE-FIX

• fix-code: lazydock\web\model_eval.py: improve error handling for model evaluation
  Add timeout handling and error messages
  Implement try-except blocks to catch and handle exceptions
  Return default values when elements are not found

Remove

None or a little.

Other Changes

None or a little.