Andrew Turner wrote: >Bob > >I have renamed the thread to something more relevant. > > > >>Be sure to take a look at the >> >> write COORDS >> >>command. With it you can export PDB, XYZ, or MOL file data. The files >>are based on whatever atoms are currently selected. Is this perhaps all >>you need? >> >> >> > >I saw that. As I understand it there is no way to invoke these commands >from the application GUI (without using the script window)? I would like >to make this possible and also add some other export formats (e.g. >Gaussian input). In order to do this, there would also have to be a way >to specify which Gaussian options you want (in a command but also >through the application GUI). I guess the easy way to do this is just a >supplementary string or two passed to the command. In the GUI version >the dialog would provide a simple interface to build up these strings >which could then be added to the command when 'Save' is clicked. > > > exactly.
>Andy > > > -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
