Occupancy Analysis explanation


after going through the manual and watching the webinar I am still confused what does the OA show.
So in simple words - it should indicate a space the ligand occupies at given number of restrains?



Yes - kind of. But it is not something we are advising of using. The usual map DISVIS gives (indicating the possible position of the centre of mass) is more informative. And also useful depending on what you want to do with the DISVIS results are the interaction analysis results pointing to the putative binding sites on the molecules (an info that can for example be combined with cross-links in HADDOCK - see http://www.bonvinlab.org/education/HADDOCK-Xlinks/ )