Hello again, We used pmesh files to describe symmetry elements of simple molecules. Files were in general very small - 6 kb for a 100 points mesh, 2kb for a 26 points mesh. For a wavefunction the resolution should probably be higher, and then the file will be heavier, but I didn't try this.
Inbal __________________________________________ Dr. Inbal Tuvi-Arad Department of Natural Sciences The Open University of Israel 108 Ravutski St., POB 808, Raanana, 43107, Israel Tel: 972-9-778-1773 Fax: 972-9-778-0661 Email: [EMAIL PROTECTED] __________________________________________ > -----Original Message----- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On > Behalf Of Rzepa, Henry > Sent: Friday, December 17, 2004 9:12 AM > To: [EMAIL PROTECTED] > Subject: RE: [Jmol-developers] Load pmesh and load file in Jmol > > > >> > >> I'm not an expert, but from what I understand, the "load > pmesh" command > >> requires files that end with ".tmesh". > > > >OK ... seems strange to me ;-) > > > >>> Q: What is your timeframe for development/deployment of > this website? > >>> > >>> This item is on the Jmol task list. I hope to implement it > >>> within the next 4 to 6 months. > > > Whilst surface display is highly important to several areas > of chemistry, > I would flag one property of surfaces that might need > attention, namely > the <size> of the resulting files. > > We adopted 3dmf (another mesh like metaformat) for > wavefunction display > a few years ago, but it only became viable to deploy it on > the web after a > a games developer (Brian Greenstone) made his 3dmf > optimizer available to the > community. This normally reduces the size of the 3dmf file > from around > 5-12 Mbytes to 400-600K. > > I have no idea if pmesh files will suffer the same problem, > but if no efficient > optimiser is available, I suspect 10 Mbyte data files will > not be viable for > Web pages. There is another issue of course, and that is > getting suitable programs > (e.g Gaussview, GAMESS, Chem3D, MacMolPlt etc etc) to support the > pmesh format (and in a perfect world, 3dmf => pmesh > conversion would also > be nice). > -- > > Henry Rzepa. > +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); > [EMAIL PROTECTED] (iChat) > http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial > College London, SW7 2AZ, UK. > > (Voracious anti-spam filter in operation for received email. > If expected reply not received, please phone/fax). > > > > > ------------------------------------------------------- > SF email is sponsored by - The IT Product Guide > Read honest & candid reviews on hundreds of IT Products from > real users. > Discover which products truly live up to the hype. Start reading now. > http://productguide.itmanagersjournal.com/ > _______________________________________________ > Jmol-developers mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jmol-developers > ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://productguide.itmanagersjournal.com/ _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
