[Chimera-users] [chimera-users]torsional angle

[Elaine Meng]

Hi!
Besides picking from the screen, you can just name the 4 atoms in  
order in the command, for example

angle :181.a at n@ca at c:182.a at n

When you use commas (,) the order is not necessarily preserved.
Best,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html

On Mar 11, 2008, at 4:29 AM, 吴超 wrote:

> Hi, folks!
> I have a problem about the measurement of torsional angle.
> In the chimera users' guide about the command angle, as follows, it  
> says that if I select the atoms simultaneously, the order  
> information will get lost.
> How can I keep the order information since I need it to calculate  
> the angle I want exactly?
> For example, in the following command I originally want to calculate  
> the n-ca-c-n(182) dihedral,
> angle :181.a at n,ca,c:182.a at n
> but in fact  what chimera gave me was may be c-ca-n-n(182).
>
> I want to calculate a lot of diheral information so I can not click  
> one by one in the gui mode, I wonder is there any way  that I can  
> get what I want .
> Thanks!
> -- 
> Chao Wu
>
> Currently:
> National Institute of Biological Sciences, Beijing
> Huang Niu's Lab
> http://www.nibs.ac.cn/
> Tel: 80726688-8572
> Address: Beijing ZhongGuanCun Life Science Park, NO.7 Science Park  
> East Road, NIBS B427
> Postcode: 102206
>
> Life Science Honors Program, China Agricultural University
> PO.1055, NO.2 YuanMingYuan west road, Beingjing, 100094
> P.R. China
> Tel: 86-10-62812484
> E-mail: lynnwuchao at gmail.com