analyzing results with Pymol
To open pdbqt files in Pymol
select All Files ion open pop-up window
Open protein.pdbqt files folloed by ligand l-out.pdbqt to analyze the results
Load each of molecules in the graphic window and use the button at below structure to visualize the binding of the molecule.
Select the ligand by using upper sequence bar and click on
sele A (action) >find>polar contacts > to any atoms
2024年8月3日 | カテゴリー：創薬/AUTODOCK |
