Respected Sir, I saw this option in refmac5 - 5.6.0037, (I use refmac5-5.6.0117), but is this option present in GUI?
Thanking you With Regards Kavya > Dear Kavya > > What about using occupancy refinement in refmac? > link http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ follow occupancy > refinement. > > R > > > On 12 Apr 2013, at 17:12, Kavyashree Manjunath <ka...@ssl.serc.iisc.in> > wrote: > >> Dear users, >> >> Is it advisable to refine the occupancy of >> a ligand for a 2.0Ang data by approximately >> changing the values of occupancy based on >> its b-factor? >> After refinement, there were some negative >> densities appearing in some parts of the >> ligand, like at the centre of a pyrimidine >> ring, so I expected that the problem is with >> the occupancy. (the crystal was obtained by >> co-crystallisation method). >> Kindly provide some suggestions. >> >> Thanking you >> With Regards >> Kavya >> >> >> -- >> This message has been scanned for viruses and >> dangerous content by MailScanner, and is >> believed to be clean. >> > > Roberto A. Steiner > Group Leader > Randall Division of Cell and Molecular Biophysics > King's College London > roberto.stei...@kcl.ac.uk > > Room 3.10A > New Hunt's House > Guy's Campus > SE1 1UL > London > > Phone 0044 20 78488216 > Fax 0044 20 78486435 > > > > -- > 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.
