Felix, It's currently not easy, but I could modify the symexp command (or create another) to take fractional parameters. I'll put that on the list of things to do.
Thanks, -- Jason On Fri, Mar 12, 2010 at 2:58 AM, Felix Frolow <mbfro...@post.tau.ac.il> wrote: > Jason > Another request related to symmetry. > It will be useful for some to be able to create set of symmetry related > molecules > in a box defined by fractional coordinates > Example: if one need to exhibit packing in a cell of 40, 60, 700 Angstrom > (could be a real case, we have one such system, in work), it is not as easy > as exhibiting packing in a cell of 250, 250, 250 Angstrom. > Could it be done? > Dr Felix Frolow > Professor of Structural Biology and Biotechnology > Department of Molecular Microbiology > and Biotechnology > Tel Aviv University 69978, Israel > > Acta Crystallographica D, co-editor > > e-mail: mbfro...@post.tau.ac.il > Tel: ++972 3640 8723 > Fax: ++972 3640 9407 > Cellular: ++972 547 459 608 > > On Mar 12, 2010, at 08:16 , Jason Vertrees wrote: > >> Harry, >> >> Here's how I would do it. Load the original object. Create a >> duplicate of it. Next, create your symmetry mates. Align the >> duplicate to the symmetry mate of choice. Create a blank movie (eg. >> mset 1x120, or Movie > Append > 4 Seconds). Now, store the original >> object's position at frame 1. Then at frame 60 issue: "matrix_copy >> duplicate, original", and store original's new position. >> >> Let me know if that works for you. >> >> Cheers, >> >> -- Jason >> >> >> >> On Tue, Mar 9, 2010 at 2:33 AM, Harry M. Greenblatt >> <harry.greenbl...@weizmann.ac.il> wrote: >>> BS"D >>> Dear All, >>> I would like to create a movie (for a course) showing how a molecule >>> undergoes crystallographic symmetry operations. So, for example, if looking >>> at a 2-fold screw axis, the movie would show either: >>> 1. The molecule rotating about the 2-fold, then translating 1/2 a unit >>> cell (in either order) >>> 2. Or, the molecule undergoing a screw transformation (combined rotation >>> and translation). >>> So one would generate about 50 (or less?) intermediate structures, each one >>> transformed a successive fraction of the desired operation. >>> It seems that SuperSym will generate the symmetry mates, but I want to >>> animate how you go from one to the next. Is there a facility that someone >>> has already created? >>> Thanks >>> Harry >>> >>> >>> >>> >>> ------------------------------------------------------------------------- >>> >>> Harry M. Greenblatt >>> >>> Associate Staff Scientist >>> >>> Dept of Structural Biology harry.greenbl...@weizmann.ac.il >>> >>> Weizmann Institute of Science Phone: 972-8-934-3625 >>> >>> Rehovot, 76100 Facsimile: 972-8-934-4159 >>> >>> Israel >>> >>> >>> >>> ------------------------------------------------------------------------------ >>> Download Intel® Parallel Studio Eval >>> Try the new software tools for yourself. Speed compiling, find bugs >>> proactively, and fine-tune applications for parallel performance. >>> See why Intel Parallel Studio got high marks during beta. >>> http://p.sf.net/sfu/intel-sw-dev >>> _______________________________________________ >>> 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 >>> >> >> >> >> -- >> Jason Vertrees, PhD >> PyMOL Product Manager >> Schrodinger, LLC >> >> (e) jason.vertr...@schrodinger.com >> (o) +1 (603) 374-7120 >> >> ------------------------------------------------------------------------------ >> Download Intel® Parallel Studio Eval >> Try the new software tools for yourself. Speed compiling, find bugs >> proactively, and fine-tune applications for parallel performance. >> See why Intel Parallel Studio got high marks during beta. >> http://p.sf.net/sfu/intel-sw-dev >> _______________________________________________ >> 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 > > -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ 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
