Re: [Jmol-users] XYZ files with unit cell
Check the LOAD command docs. Jmol can add a unit cell to any file input. And add symmetry operation is desired. Very simple with xyz files. Your cored need to be Cartesian. Jmol will transform those into fractional coord prior to applying symmetry. Sent from my stupid iPhone On Nov 4, 2013, at 2:07 PM, Kurt Fredrickson wrote: > Hi there, > > I just started using Jmol a week ago, and it is very useful to see > vibrations! Right now I am inputting everything with an XYZ file. Is there > any way to add a rhombohedral unit cell frame to the vibration animations? > Right now, for my crystal I just have my atoms floating in space. > > captainalright > -- > November Webinars for C, C++, Fortran Developers > Accelerate application performance with scalable programming models. Explore > techniques for threading, error checking, porting, and tuning. Get the most > from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] XYZ files with unit cell
Hi Kurt I don't think that XYZ format supports crystallographic parameters.- You'd probably use another file format like CIF, more suited to inlcude that information. Otherwise, you can draw your "unitcell" from the coordinates, using the "draw" command -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
[Jmol-users] XYZ files with unit cell
Hi there, I just started using Jmol a week ago, and it is very useful to see vibrations! Right now I am inputting everything with an XYZ file. Is there any way to add a rhombohedral unit cell frame to the vibration animations? Right now, for my crystal I just have my atoms floating in space. captainalright -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
