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Synopsis

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/DMOL3 output file has to be specified.

If it is called with -pdb the file name of a PDB file has to be specified.



Jörg-Rüdiger Hill
Sun Jan 25 13:37:17 PST 1998