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Thank you Sir. With Regards Kavya > So there is a CCP4 GUI.... > > Just prepare a txt file with the relevant occupancykeywords and use it in > the GUI under 'Refmac keyword file' > > Best > R > > From my iPhone > > On 12 Apr 2013, at 19:50, "Kavyashree Manjunath" <[log in to unmask]> > wrote: > >> 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 <[log in to unmask]> >>> 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 >>> [log in to unmask] >>> >>> 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. >> > > -- > 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.