Hi Mike,

I simply measured x_shift and y_shift from a cyclohexane fragment. Use
the graphical Builder or the "fragment" command to load stuff from the
fragment library.

PyMOL> fragment cyclohexane

Cheers,
  Thomas

Mike Marchywka wrote, On 01/04/13 15:44:
> Where do you get the x_shift and y_shift values? I ended up writing a program 
> to
> take bond lengths and directions relative to select coord systems to generate 
> periodic or
> almost periodic things. Right now polyenes but extensible. Is there some 
> program that
> does this easily? This allows me to write a simple TcL script and reorient 
> the whole
> molecule by changing one parameter . I don't currently have a way to include 
> library
> items, like say a methyl group, and I was debating about doing this in python
> but I wanted to have easy access to lapack etc for later extensions.
> Thanks.

-- 
Thomas Holder
PyMOL Developer
Schrödinger Contractor

------------------------------------------------------------------------------
Master HTML5, CSS3, ASP.NET, MVC, AJAX, Knockout.js, Web API and
much more. Get web development skills now with LearnDevNow -
350+ hours of step-by-step video tutorials by Microsoft MVPs and experts.
SALE $99.99 this month only -- learn more at:
http://p.sf.net/sfu/learnmore_122812
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net

Reply via email to