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Hi Peter,<br>
<br>
although occupancy refinement is listed among the strategies performed
by default, in fact phenix.refine by default will only refine
occupancies of atoms that are 1) not equal to 1.0 in your input PDB
file, 2) having multiple conformations (alternative conformations). <br>
<br>
If you don't have such atoms in your input PDB file, then no occupancy
refinement will be performed. At 3.0A resolution, I wouldn't think you
have any partially occupied sites (well, they may be present in the
actual structure but you wouldn't see it at this rather low
resolution), therefore you probably shouldn't worry about turning the
occupancy refinement off.<br>
<br>
Pavel.<br>
<br>
<br>
On 3/29/09 12:40 PM, peter hudson wrote:
<blockquote
cite="mid:c706846c0903291240n4161b452he896ec0403215d6c@mail.gmail.com"
type="cite">Hello all<br>
<br>
I am very new to this field. I am refining a dataset of 3.0A
resolution. I want to perform the weight optimization. while weight
optimisation, occupancy refinemnet is default. I donot want torefine
the occupancy of any of the atoms from my model. How can i set to
occupancy_refinemnet=false. I will appreciate the suggestions.<br>
<br>
<br>
Thanks in advance<br>
<br>
Peter<br>
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