2024-10-09 20:59:29
Focus on
1. Fix dlg-pdb parse in pml.autodock_utils
2. Add RRCS calcu in pml.rrcs
What's New
- addon: lazydock\pml\rrcs.py
Minor Addon
- minor-addon: lazydock_pymol_plugin\lazy_dlg.py: LazyPose: add parse2std and save_lig_with_HETATM option
- minor-addon: lazydock_pymol_plugin\lazy_dlg.py: LazyPose: ui_update_ui: excpt ligands in self.ui_molecule
BUG-FIX
- fix-bug: lazydock\pml\autodock_utils.py: fix PDB_PATTERN, avoid parsing error in ADModel: parse_content
- fix-bug: lazydock\pml\autodock_utils.py: remove q colum in PDB_PATTERN
- fix-bug: lazydock\pml\rrcs.py: back to for-loop calculation, correct calculation
CODE-FIX
- fix-code: lazydock\pml\autodock_utils.py: ADModel: parse_content: remove logic to force sort pdb lines if _parse2std is enabled
- fix-code: lazydock\pml\rrcs.py: optimize calcu_RRCS performance by using matrix calculation
Remove
None or a little.
Other Changes
None or a little.
**Full Changelog**: https://github.com/BHM-Bob/LazyDock/compare/v0.2.0...v0.4.0