From: Bob H. <ha...@st...> - 2007-02-13 07:12:32
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Crystallography-interested Jmol users: I was talking with a friend today who wanted to make a tetrahedral stack of Face-centered-cubic atoms and had an idea. Why not make it so that you can select atoms based on distance to an arbitrary plane? So, after some work, this is now part of Jmol 11.1.12. For example: draw plane1 (atomno=1) (atomno=2) (atomno=3);draw off display within(2.0, plane, $plane1) # within 2 Angstroms of one side of the plane display within(-2.0, plane, $plane1) # same for the other side select within(0, plane, xy});color green # in the xy plane select within(0, plane, x=3);spacefill 1.0 # like it says display within(999, plane, {0 1 1 3}) # on one side of plane y + z + 3 = 0 display within(0, hkl, {1/3 1/3 1/3}) # in the plane using Miller indices You can see how this works at http://www.stolaf.edu/academics/chemapps/jmol/docs/examples-11/new.htm Bob |