VIEWMOL can be called as follows:
viewmol [{-bio | -dmol | -gauss | -gulp | -pdb | -tm} file]
If VIEWMOL is called without parameters it tries to read TURBOMOLE's
control
file.
If it is called with -tm
the file name of a TURBOMOLE file containing
at least the data group $coord
has to be specified. This option can be used
if you do not want to load all the data from the control
file.
If it is called with -bio
the file name of a DISCOVER file has to be
specified. One can use the .car
, the .cor
, or the .arc
file
of DISCOVER. VIEWMOL also looks for a file with the extension .hessian
and tries to read the vibrational spectrum from it, if it was found.
If it is called with -gauss
the file name of a GAUSSIAN 9X output file
has to be specified.
If it is called with -dmol
the file name of a DMOL output file has to
be specified.
If it is called with -p
the file name of a PDB file has to be specified.