Sir, Ok yes. I tried with 0.5 occupancy, ended up getting positive density around acetate on both sides equally. Later I tried with 0.8, 0.99 for which the map was normal and also validation did not report it as short contact. Is it ok if I give 0.99 occupancy?
Thank you Regards Kavya > > It does not interact - you cannot have 1.8A distance between atoms. > Assuming that it is indeed acetate it must be partially occupied, 0.5 or > less. Keep in mind that when you lower occupancy you may see additional > density for whatever occupies the space on the other side of the > symmetry element (e.g. water) which you may need to model. > > > > -- > Oh, suddenly throwing a giraffe into a volcano to make water is crazy? > Julian, King of Lemurs > > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
