spoel at xray.bmc.uu.se
Fri Jun 27 13:37:00 CEST 2003
On Fri, 2003-06-27 at 13:25, Christopher Yip wrote:
> I started to write up a GUI for the Apple side of things (under OS X)
> using AppleScript Studio (basically a GUI wrapper around various do
> shell script calls). It was actually quite nice to be able to simply
> click to open up your file browser, select force field options, etc...
> I only got as far as creating the solvent box... Need to do some more
> work on it.
The reason I have never really done it (beyond the simple Motif stuff
which was *only* 1 month of programming) is that there is nothing really
portable. Now that apple is going the KDE way (or so it seems with the
Safari browser) we could at least try to get something working on both
Mac OS X and Linux (everything else will become obsolete anyway). Is the
applescript stuff any portable? I was actually more thinking about
Python, which may not be as pretty but is portable.
> On Friday, June 27, 2003, at 03:27 AM, Arturas wrote:
> > Hello ,
> > I just starting using GROMACS and one essential question gets me all
> > time: is there any visual interface (X-windows/MS win23) for
> > preparing GROMACS jobs trying to walk around all that that stuff
> > related to entering many commands at unix command promt with a lot of
> > keys and files ? :)
> > --
> > Best regards,
> > Arturas Z.
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> Christopher M. Yip, Ph.D., P.Eng.
> Associate Professor - Canada Research Chair in Molecular Imaging
> Departments of Chemical Engineering and Applied Chemistry
> Department of Biochemistry
> Institute of Biomaterials and Biomedical Engineering
> 407 Rosebrugh Building
> Toronto, Ontario, CANADA M5S 3G9
> (416) 978-7853
> (416) 978-4317 (fax)
> christopher.yip at utoronto.ca
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Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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