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Visualization of Molecular Geometry

The tool t2x can be used to convert the atomic coordinates stored in the $grad and $coord data groups into the xyz-format, which is supported by most viewers, e.g. jmol (http://jmol.sourceforge.net/). Typing

t2x > opt.xyz
in a directory containing the control file generates a series of frames using the information of $grad. Note t2x writes to standard output which here is redirected to a file. If you are only interested in the most recent structure, type
t2x -c > str.xyz
which only extracts the information on $coord.



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