See if by any chance going the other way works -- from the verified coordinates to the original. If that's the case, then you need the inverse of this matrix.
Timothy Driscoll wrote: >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 > > ------------------------------------------------------------------------- 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