Hi Peter,

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).

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.

Pavel.

On 3/29/09 12:40 PM, peter hudson wrote:

Hello all

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.

Thanks in advance

Peter
_______________________________________________
phenixbb mailing list
[email protected]
http://www.phenix-online.org/mailman/listinfo/phenixbb
  