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'
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
> Thanking you
> With Regards
>> Dear Kavya
>> What about using occupancy refinement in refmac?
>> link http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ follow occupancy
>> On 12 Apr 2013, at 17:12, Kavyashree Manjunath <[log in to unmask]>
>>> 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
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>> Roberto A. Steiner
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> dangerous content by MailScanner, and is
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