Don't mind my email. I got the wrong file. Jianghai On Feb 21, 2008, at 10:47 AM, Jianghai Zhu wrote:
Hi,
I recently noticed that the geometry in my structure is much worse than my previous model. Here are some examples.
The RMSD results after a refinement by phenix 1.3b.
stage angl bond chir dihe plan repu 3_bss: 0.711 0.009 0.059 18.282 0.002 3.917
after switching to cci version 2008_02_08_1610, I tried to do a geometry minimization by setting wxc_scale = 0. The RMSD I got from the previous model is as following.
stage angl bond chir dihe plan repu 0 : 1.394 0.124 0.147 20.782 0.004 3.925
and after 6 macro cycles of geometry minimization,
stage angl bond chir dihe plan repu 6_bss: 0.622 0.011 0.120 13.143 0.003 3.822
It funny that the RMSD are so different for the same model. What happened?
Jianghai
+++++++++++++++++++++++++++++++ Jianghai Zhu, Ph.D Immune Disease Institute Department of Pathology Harvard Medical School 200 Longwood Ave., Boston, MA 02115 Ph: 617-278-3211 Fx: 618-278-3232 +++++++++++++++++++++++++++++++
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