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
