[PyMOL] Script for Torsion angles

2011-09-02 Thread Martin Hediger
Dear List Does anyone have a script to calculate torsion angles lying around? Ideally, i would like to be able to enter x1, x2, x3, x4 and get the (smaller) angle between the two normals of the planes defined by x1, x2, x3 and x2, x3, x4, respectively. For some odd reason the measurment wizard i

Re: [PyMOL] Script for Torsion angles

2011-09-02 Thread Thomas Holder
Hi Martin, http://pymolwiki.org/index.php/Get_Dihedral Cheers, Thomas On 09/02/2011 11:48 AM, Martin Hediger wrote: > Dear List > Does anyone have a script to calculate torsion angles lying around? > Ideally, i would like to be able to enter x1, x2, x3, x4 and get the > (smaller) angle betwee

[PyMOL] Mutagenesis script

2011-09-02 Thread Rozaimi Razali
Can someone please explain to me why my script is not working properly? #Initialize fetch 1shr, async=0 create test, 1shr cmd.wizard("mutagenesis") cmd.do("refresh_wizard") # Mutate cmd.get_wizard().set_mode("HIS") cmd.get_wizard().do_select("/test//B/36") cmd.frame(1) cmd.get_wizard().apply()

[PyMOL] is it possible to keep full_screen mode to a single screen in a multiscreen-setup?

2011-09-02 Thread Tatyana Sysoeva
Dear all, I am wondering if it is possible to keep full_screen mode to a single monitor output in a setup with two or three monitors? I am planning on giving a presentation with Pymol help where I was planning to use psw from a ppt file or just by opening the pymol directly. I tried the setup and