[Chimera-users] [chimera-users]torsional angle
meng at cgl.ucsf.edu
Tue Mar 11 09:42:32 PDT 2008
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.
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
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 .
> Chao Wu
> National Institute of Biological Sciences, Beijing
> Huang Niu's Lab
> 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
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