[PyMOL] calculate the rotation angle of a certain helix in structures with different ATP analogues

[Xinghua Qin <xinghuaqin@12...>]

hi,
how do I calculate the rotation angle of a certain helix  in structures with different ATP analogues?
and how if it is a domain ?
 
Best wishes
Xinghua Qin


--
Xinghua Qin
State Key Laboratory of Plant Physiology and biochemistry 
College of Biological Sciences
China Agricultural University
No.2, Yuan Ming Yuan West Road
Haidian District, Beijing, China 100193
Tel: +86-10-62732672
E-mail: xinghuaqin@...

[PyMOL] calculate the rotation angle of a certain helix in structures with different ATP analogues

[Xinghua Qin <xinghuaqin@12...>]

hi,
how do I calculate the rotation angle of a certain helix  in structures with different ATP analogues?
and how if it is a domain ?
 
Best wishes
Xinghua Qin


--
Xinghua Qin
State Key Laboratory of Plant Physiology and biochemistry 
College of Biological Sciences
China Agricultural University
No.2, Yuan Ming Yuan West Road
Haidian District, Beijing, China 100193
Tel: +86-10-62732672
E-mail: xinghuaqin@...

Re: [PyMOL] calculate the rotation angle of a certain helix in structures with different ATP analogues

[Thomas Holder <speleo3@us...>]

Hi Xinghua,

you can install the "psico" module which provides commands for both of 
your tasks:

  * angle_between_helices
  * angle_between_domains

PyMOLWiki page:
http://pymolwiki.org/index.php/Psico

Direct download link:
https://github.com/speleo3/pymol-psico/zipball/master

After having installed psico, read the help pages for both commands:

PyMOL>help angle_between_helices
PyMOL>help angle_between_domains

An older version of the "angle_between_helices" command is also 
available as a separate script:
http://pymolwiki.org/index.php/AngleBetweenHelices

Cheers,
   Thomas

On 05/29/2012 04:45 AM, Xinghua Qin wrote:
> hi,
> how do I calculate the rotation angle of a certain helix in structures
> with different ATP analogues?
> and how if it is a domain ?
> Best wishes
> Xinghua Qin
>
> --
> Xinghua Qin
> State Key Laboratory of Plant Physiology and biochemistry
> College of Biological Sciences
> China Agricultural University
> No.2, Yuan Ming Yuan West Road
> Haidian District, Beijing, China 100193
> Tel: +86-10-62732672
> E-mail: xinghuaqin@...

-- 
Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen