Hi, I try to find out how to apply a rotation matrix to the model with jmol. I have a matrix to be applied to coordinates this way: matrix [[a1,b1,c1],[a2,b2,c2],[a3,b3,c3]] xnew=a1*x+b1*y+c1*z, ynew=a2*x+b2*y+c2*z etc
It looks like I need just to do $ rotate selected @matrix. But it works for one matrix and doesn't with another (I've checked with manually multiplied coordinates). Then I decided to check how does jmol rotate coordinates with matrix and found that in one case transformation equal to matrix, and in other not. The same, as for my models. Is it a bug, or a feature, and how can I get rotation for the second matrix? $ show transform transform: [ [1.0 0.0 0.0] [0.0 1.0 0.0] [0.0 0.0 1.0] ] $ show rot rot = [ [0.0444209 -0.23927301 0.969936] [0.0448276 -0.969439 -0.24120401] [0.998007 0.0541943 -0.0323373] ] $ rotate @rot $ show transform transform: [ [0.044420823 -0.23927324 0.9699356] [0.044827897 -0.9694386 -0.24120365] [0.99800664 0.05419464 -0.032337148] ] ... rotate back $ show transform transform: [ [1.0 0.0 0.0] [0.0 1.0 0.0] [0.0 0.0 1.0] ] $ show rot2 rot2 = [ [-0.430167 -0.38484102 0.816611] [0.693676 -0.719811 0.0261867] [-0.57772803 -0.57772905 -0.57659] ] $ rotate @rot2 $ show transform transform: [ [0.9202282 0.35561728 0.16345158] [0.2475827 -0.85237557 0.46060684] [0.3031219 -0.3833956 -0.8724247] ] Thanks, Nick ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
