2024-12-16 15:19:25
Focus on
- optimize the loading speed of the lazydock pymol plugin
- add new functionality for CGenFF
What's New
- addon: add lazydock\web\cgenff.py: add CGenFF web automation script
- addon: lazydock\pml\align_to_axis.py: add align to axis feature for PDB files
- feat(scripts): add align_pose_to_axis script
- fix-code: move lazydock_pymol_plugin code into lazydock\pml_plugin for easier update
- refactor(pymol-plugin): move plugin initialization to lazydock\pml_plugin_init_.py for easier updating
Minor Addon
- minor-addon: lazydock\scripts\dock.py: HDOCK and HPEPDOCK: add GUI option for browser and refactor docking process
- minor-addon: lazydock_pymol_plugin__init__.py: add align_pose_to_axis command to LazyDock Pymol Plugin
- minor-addon: lazydock\pml\align_to_axis.py: add 'alter' method to align pose to axis
- minor-addon: lazydock\pml\align_to_axis.py: add dss option to align_pose_to_axis function
BUG-FIX
- fix-bug: lazydock/scripts/dock.py: hpepdock: run_hdock_web: use right w_dir
- fix-bug: lazydock\pml_plugin_init_.py: remove unused parameter from align_pose_to_axis_warp
- fix-bug: lazydock\pml\align_to_axis.py: align_pose_to_axis: correct usage of homogenous parameter in transform_selection
CODE-FIX
- move lazydock\gmx\sort_mol2_bonds.py to thirdparty to clearfy the copyright
- fix-code: lazydock\scripts\sort_mol2_bonds.py: update import path for sort_mol2_bonds
- fix-code: lazydock_pymol_plugin__init__.py: move heavy imports into function or background thread to make initialization faster
- fix-code: lazydock\pml\align_to_axis.py: fix alignment issue and improve functionality
Remove
None or a little.