VIEWMOL can be called as follows:
viewmol [{-bio | -dmol | -gauss | -gulp | -pdb | -tm | -tmmsi} file]
If VIEWMOL is called without parameters it tries to read TURBOMOLE's
control
file.
If it is called with -tm
or -tmmsi
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. -tm
reads the original
TURBOMOLE output while -tmmsi
allows VIEWMOL to read
TURBOMOLE outputs from the TURBOMOLE version distributed
by MSI (the only difference is the ordering of the normal modes in 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/DSOLID/DMOL
output file has to be specified.
If it is called with -pdb
the file name of a PDB file has to be specified.