Yes, this will turn bulk solvent correction and anisotropic scaling off completely. In some cases it may result in R-factors increase by ~5% or similar. So it may only make sense in exotic cases or if you do numerical experiments (simulated data etc..).

Pavel.


On 12/3/2008 1:36 AM, junfeng liu wrote:
Add

bulk_solvent_and_scale=False 
when you run it again.



[email protected] wrote:
  
Hi all,
I'm refining a protein and after running phenix.refine I always get a bulk
solvent refinement cycle at the end of the process. Is there any way to
get rid of the last step?

------------------------------------------------------------------------
REMARK  stage       angl   bond   chir   dihe   plan   repu  geom_target
REMARK    0    :   1.007  0.027  0.237 18.975  0.004  4.107   2.7953e-01
REMARK    1_bss:   1.007  0.027  0.237 18.975  0.004  4.107   2.7953e-01
REMARK    1_xyz:   1.844  0.015  0.087 19.502  0.005  4.106   1.9824e-01
REMARK    1_adp:   1.844  0.015  0.087 19.502  0.005  4.106   1.9824e-01
REMARK    2_bss:   1.844  0.015  0.087 19.502  0.005  4.106   1.9824e-01
REMARK    2_xyz:   1.222  0.008  0.075 19.562  0.005  4.107   1.2876e-01
REMARK    2_adp:   1.222  0.008  0.075 19.562  0.005  4.107   1.2876e-01
REMARK    3_bss:   1.222  0.008  0.075 19.562  0.005  4.107   1.2876e-01
REMARK    3_xyz:   1.021  0.005  0.063 19.049  0.004  4.111   1.0306e-01
REMARK    3_adp:   1.021  0.005  0.063 19.049  0.004  4.111   1.0306e-01
REMARK    3_bss:   1.021  0.005  0.063 19.049  0.004  4.111   1.0306e-01
REMARK
------------------------------------------------------------------------


César Santiago
Dept of Macromolecules Structure
Centro Nacional de Biotecnología, CSIC
Campus Cantoblanco
28049 Madrid
Spain

[email protected]


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