On 08/20/2013 01:18 AM, Robert Hanson wrote: > Sure. > > rotate BEST > > does more than simple 90-degree rotations. Could be different definitions > of what is "best" of course. What it has now is "smallest volume with > thinnest side directed toward the user and longest side along X." > > Were you sure to select the same set of atoms as you did in your algorithm? > > select not water > rotate BEST > > ? > I think it looks very good for 108L.... > In my test I forgot the "select not water", but for 108L for example it makes no difference. But I noticed that the result of "rotate best" is dependent on the current rotation. So maybe you have seen something different than me.
I have prepared an image showing the original view, "rotate best" result directly after loading, Jena3D view and a second "rotate best" result after rotating the structure manually: http://www.fli-leibniz.de/~rhuehne/jmol/1a0l-orientation_test.jpg No doubt, there will be no single "best" orientation. But if I had to rank the four views I would do it the following way (highest rank first): Jena3D, Rotate best 2, Original, Rotate best Regards, Rolf -- Rolf Huehne Postdoc Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) Beutenbergstrasse 11 07745 Jena, Germany Phone: +49 3641 65 6205 Fax: +49 3641 65 6210 E-Mail: rhue...@fli-leibniz.de Website: http://www.fli-leibniz.de Scientific Director: Prof. Dr. K. Lenhard Rudolph Head of Administration: Dr. Daniele Barthel Chairman of Board of Trustees: Dennys Klein VAT No: DE 153 925 464 Register of Associations: No. 230296, Amtsgericht Jena Tax Number: 162/141/08228 ------------------------------------------------------------------------------ Introducing Performance Central, a new site from SourceForge and AppDynamics. Performance Central is your source for news, insights, analysis and resources for efficient Application Performance Management. Visit us today! http://pubads.g.doubleclick.net/gampad/clk?id=48897511&iu=/4140/ostg.clktrk _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
