On May 10, 2007, at 3:54 PM, Bob Hanson wrote: > This is always a royal pain to get right. Certainly looks like a > rotation matrix to me. > It's got the right form. My guess is you put the vector on the > right and > multiply as: > > x' = m11*x + m12*y + m13*z > > across the top row of that matrix. Likewise for y' across the second. >
that does not appear to work, no, and that's what confuses me. (MUSTANG also outputs a pdb file with the aligned coordinates, which I use as verification.) I've been trying to read some literature on transformation matrices but most of them are 4x4, not 3x3? anyway, I'll keep looking. tim > > Timothy Driscoll wrote: > >> hi, >> >> I have two structures that I have aligned using a program called >> MUSTANG. the program gives me a 3x3 transformation matrix like this >> one: >> >> 0.58 0.805 0.125 >> 0.521 -0.484 0.703 >> 0.626 -0.342 -0.7 >> >> >> in order to superimpose my second structure onto the coordinate >> system of the first, I am told that I should apply this matrix to the >> xyz coords of the second. I thought this could be done via a simple >> matrix multiplication, but apparently not. >> >> can anyone please suggest a reference that deals with this? >> >> >> >> thank you, >> >> 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 ------------------------------------------------------------------------- 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
