[phenixbb] Bulk solvent
junfeng liu
jliu at nimr.mrc.ac.uk
Wed Dec 3 01:36:30 PST 2008
Add
bulk_solvent_and_scale=False
when you run it again.
csantiag at cnb.csic.es 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
>
> csantiag at cnb.csic.es
>
>
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>
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