I think you've got it now. Timothy Driscoll wrote:
> >original > ATOM 1 ATOM 2 d(2-1) M*d >x 3.95 3.86 -0.08 -1.25 >y 38.05 36.58 -1.48 0.59 >z 17.44 17.32 -0.11 0.53 > > >transformed > ATOM 1 ATOM 2 d(2-1) >x 52.94 51.69 -1.25 >y 50.01 50.6 0.59 >z 89.41 89.95 0.53 > > >that's good, but now I'm stuck. unapplying the translation does not >get me to the transformed coords. this makes me think that... > > > Since M*(a2-a1) = (a2'-a1'), you simply add ATOM 1 coordinates now to that and get the transformed coordinates. That is, calling A an initial coordinate, A' its transformed coordinate, A0 the coordinate (3.95, 38.05, 17.44) and A0' (52.94, 50.01, 89.41), you have: A' = A0' + M*(A - A0) I think it probably doesn't matter what you use for A0'. Maybe I've lost the purpose of doing all this.... Bob >>Unless they also applied a zoom.... >> >> >> > >but I have no other data from the operation other than the matrix, >and the two coordinate sets. > > >tim > > ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
