<div dir="ltr">Dear Elaine,<div><br></div><div>Thanks a lot for your help. It works.</div><div><br></div><div>Thanks and cheers,</div><div>Yanhe</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Elaine Meng <<a href="mailto:meng@cgl.ucsf.edu">meng@cgl.ucsf.edu</a>> 于2022年2月1日周二 15:18写道:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi Yanhe,<br>
easy question first (2) Yes<br>
<br>
As for (1), if you just want to use the position of some atom (or approximate center of some group of atoms), you don't need to figure it out and then enter numbers in the dialog. Instead you can just either<br>
<br>
(A) select the atom(s) and use the menu: Actions... Set Pivot<br>
<<a href="https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/menu.html#actpivot" rel="noreferrer" target="_blank">https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/menu.html#actpivot</a>><br>
<br>
- OR -<br>
<br>
(B) use the "cofr" command <br>
<<a href="https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/cofr.html" rel="noreferrer" target="_blank">https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/cofr.html</a>><br>
<br>
...and specify one or more atoms, for example<br>
<br>
cofr #1:50.A@CA<br>
cofr #1:50.A<br>
cofr sel<br>
<br>
...where "sel" means currently selected atoms. However, if you have calculated X,Y,Z that you want as the center using some other method you can also specify them with the "cofr" command:<br>
<br>
cofr 5.5,14.2,15.0<br>
<br>
I hope this helps,<br>
<br>
Elaine<br>
-----<br>
Elaine C. Meng, Ph.D. <br>
UCSF Chimera(X) team<br>
Department of Pharmaceutical Chemistry<br>
University of California, San Francisco<br>
<br>
> <br>
> From: Yanhe Zhao <<a href="mailto:yanhezhao1990@gmail.com" target="_blank">yanhezhao1990@gmail.com</a>><br>
> Subject: choose the rotation center<br>
> Date: February 1, 2022 at 1:02:12 PM PST<br>
> To: <a href="mailto:chimera-users-owner@cgl.ucsf.edu" target="_blank">chimera-users-owner@cgl.ucsf.edu</a><br>
> <br>
> Hello there,<br>
> <br>
> I want to fixed the center for my rotation but have two questions here:<br>
> 1, how I easily read out the xyz coordinate of the point I want to use as center?<br>
> 2, as attached, what the xyz sequence here, xyz from top to bottom?<br>
> <br>
> Thanks and appreciate for your help!<br>
> Yanhe<br>
> <Screenshot from 2022-02-01 14-53-52.png><br>
<br>
</blockquote></div>