From: Bob H. <ha...@st...> - 2006-03-19 04:21:43
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This is revised slightly just in the way draw objects and coordinates are referenced.. Also, "perpendicular" and "plane" added to draw. See that prototype page. draw PERP $triangle1 #draws a line that is through the geometric center of $triangle 1 and perpendicular to it. draw PLANE (atomno=1) (atomno=2) (atomno=3) draws a rectangle with one side from atom 1 to atom 2 and the opposite side through atom 3. more to come. Enough for now! The old "spin x, spin y, spin z, spin on/off" is still there, but I consider it deprecated. FAR better is a full complement of INTERNAL and FIXED frame rotations and spinning involving x, y, z, -x, -y, -z, arbitrary axisangle {x y z}, designation of (atom sets) {x y z} coordinates, and $line1 draw objects for both fixed and internal spinning and rotating, and designation of two coordinates or two atom sets or an atom set and a coordinate for internal coordinate spinning. Test page will be at http://www.stolaf.edu/people/hansonr/jmol/test/json/spin.htm momentarily. * * spin and rotate are now consolidated here. * The old "spin x, spin y, spin z" is still there, but * pretty much deprecated because it is not that useful. * spin on and spin off still work as well -- and are important * * far simpler is * * spin x 10 * spin y 10 * * these are pure x or y spins or * * spin axisangle {1 1 0} 10 * * this is the same as the old "spin x 10; spin y 10" -- or is it? * anyway, it's better! * * note that there are many defaults * * spin * spin 10 * spin x * * and several new options * * spin -x * spin axisangle {1 1 0} 10 * spin 10 (atomno=1)(atomno=2) * spin 20 {0 0 0} {1 1 1} * * The INTERNAL keyword indicates that spins or rotations are to be * carried out in the internal molecular coordinate frame, not the * fixed room frame. * * * Bob Hanson * * |