From: Robert H. <ha...@st...> - 2010-03-02 04:38:43
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Well, that wasn't so bad. isosurface na1 cap unitcell center {atomno=1} sphere 2.0 does what you see there for one of the atoms isosurface na1 slab unitcell center {atomno=1} sphere 2.0 does that, but doesn't close the ends. Kind of cool that this addition only about 20 lines of code. Fun! So the solution is to create a sphere isosurface for each. Kind of neat that the unitcell doesn't have to be orthogonal. Also works with boundbox. Bob On Fri, Feb 26, 2010 at 10:48 PM, Dean Johnston <djo...@gm...>wrote: > Jmol Users, > > Here's something I've always wanted to do with Jmol -- use clipping > planes to show students the *fractions* of atoms in a unit cell (similar > to attached image of NaCl generated using POV-Ray). I know I can use slab > HKL and depth HKL, but those don't "slice" through the atoms like the normal > slab and depth commands. I think there was a thread a while back on > something like this, but I couldn't track it down. I've also thought about > generating isosurfaces to represent the fractions of atoms, but that seemed > tedious. > > Dean > > > ------------------------------------------------------------------------------ > 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 > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |