Releases: lmdu/dockey
Releases · lmdu/dockey
v0.9.0
Added support for flexible docking
Added support for Ubuntu >= 22.04
Added downloading ligands from PubChem, ChEMBL
Added receptor preprocessing using pdbfixer and pdb2pqr
Optimized docking parameters settings
Fixed parameter library file setting when using AutoDock4
Fixed AutoDock Vina output pose format
v0.8.2
Fixed errors when downloading molecules from ZINC and PDB ( #2 )
v0.8.1
Fixed execution error caused by meeko slimming
v0.8.0
Fixed removal error of temp file generated by plip
Fixed unicode error when writing pdbqt file
v0.7.0
Added ligand filter by logp
Added progress bar for job running
Improved the writing speed to project file
Improved the table model performance
Fixed SDF parser error when importing and sanitizing
Fixed molecule automatic saving error after modification
v0.6.0
Added support for flexible docking
Added support for loading all molecules from SDF file
Added support for filtering ligands
v0.5.0
Added file type association
Fixed incorrect position of progressbar on MacOS
Fixed openbabel and pymol hooks
Fixed pymol demo data
v0.4.1
Fixed project close error
Fixed prompt cmd when executing jobs on Windows
Fixed table model non display when reseting
v0.4.0
Added support for QuickVina-W
Added support for using Meeko to prepare ligands
Added settings for molecular preparation
Enhanced docking job manager
v0.3.0
Added support for interaction analysis
Added pymol control menus
Added setting dialog
Added support for importing ligand from zinc database
Added support for importing receptor from pdb database
Fixed errors on Linux and MacOS
Fixed receptor and ligand docking complex
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