[phenixbb] Bulk solvent
csantiag at cnb.csic.es
csantiag at cnb.csic.es
Wed Dec 3 01:15:30 PST 2008
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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