CCL: Coordinate system rotation

[berger|a|chem.helsinki.fi]

 Sent to CCL by: berger##chem.helsinki.fi
 Dear Radek,
 a "simple" GUI solution with molden:
 open the xyz with molden. goto edit zmatrix, and there to reorder zmatrix.
 click first on atom A then on atom B and then on all others in some order.
 save the zmatrix when finished. close molden. open molden with the zmatrix
 and then save the file as xyz. here you might have to permute the x and z
 column still.
 best regards
   Raphael
 > Sent to CCL by: "Radoslaw  Kaminski" [rkaminski.rk]=[gmail.com]
 > Dear All,
 >
 > A trivial question. I have a XYZ file with a molecule in some coordinate
 > system. I would like to have a Z axis be in a certain direction along
 > A...B
 > atoms. Is there any program that can easily change my coordinate system by
 > choosing some 3 atoms? I can of course do all transformations by hand (for
 > example in Excel) but its tedious. I know that ADF is capable of
 > transforming
 > the coordinates to some specified coordination system (Prof. Baerends' CCL
 > post
 >> from several years ago), but is there any other program that can just
 >> make such
 > transformations quickly?
 >
 > Thanks in advance,
 >
 > Radek>
 >
 >