From: Eran H. <era...@gm...> - 2009-02-19 15:48:23
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"Electron density: I've worked out a preliminary version of electron density plotting and mapping in Jmol. It's pretty slow, because all of the occupied MOs have to be scanned. But it does work.... at least for RHF. I have it ignoring d and f orbitals. " Very cool! Will be glad to test this when possible. Eran On Thu, Feb 19, 2009 at 3:46 PM, Eran Hodis <era...@gm...> wrote: > Hi Bob, > In our case it's a Wavefront object file. > > Eran > > > On Thu, Feb 19, 2009 at 3:37 PM, Robert Hanson <ha...@st...> wrote: > >> "obj" could be anything. What is it? >> >> >> >> Bob >> >> >> >> On Thu, Feb 19, 2009 at 6:33 AM, Eran Hodis <era...@gm...> wrote: >> >>> Thanks Bob! >>> Another question for anyone who may know: >>> >>> I have a .obj file that I would like to visualize in Jmol. Is anyone >>> aware of a way to do this (possibly by first converting it to a different >>> format that Jmol can read)? >>> >>> Thanks for the help. >>> >>> Eran >>> >>> >>>>>> I for one would like to display isodensity surfaces for wave >>>>>> functions calculated with the GAMESS-US program. >>>>>> >>>>>> Jan >>>>>> >>>>>> > >>>>>> >Egon >>>>>> > >>>>>> >-- >>>>>> >---- >>>>>> >http://chem-bla-ics.blogspot.com/ >>>>>> > >>>>>> >>>>>> >------------------------------------------------------------------------------ >>>>>> >Create and Deploy Rich Internet Apps outside the browser with >>>>>> Adobe(R)AIR(TM) >>>>>> >software. With Adobe AIR, Ajax developers can use existing skills and >>>>>> code to >>>>>> >build responsive, highly engaging applications that combine the power >>>>>> of local >>>>>> >resources and data with the reach of the web. Download the Adobe AIR >>>>>> SDK and >>>>>> >Ajax docs to start building applications today- >>>>>> http://p.sf.net/sfu/adobe-com >>>>>> >_______________________________________________ >>>>>> >Jmol-users mailing list >>>>>> >Jmo...@li... >>>>>> >https://lists.sourceforge.net/lists/listinfo/jmol-users >>>>>> >>>>>> >>>>>> -- >>>>>> =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- >>>>>> Jan H. Jensen Associate Research Professor >>>>>> Department of Chemistry jhj...@ke... >>>>>> University of Copenhagen Phone: +45 35 32 02 39 >>>>>> Universitetsparken 5 FAX: +45 35 32 02 14 >>>>>> 2100 Copenhagen Denmark >>>>>> http://propka.ki.ku.dk/~jhjensen <http://propka.ki.ku.dk/%7Ejhjensen> >>>>>> =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- >>>>>> >>>>>> >>>>>> ------------------------------------------------------------------------------ >>>>>> Create and Deploy Rich Internet Apps outside the browser with >>>>>> Adobe(R)AIR(TM) >>>>>> software. With Adobe AIR, Ajax developers can use existing skills and >>>>>> code to >>>>>> build responsive, highly engaging applications that combine the power >>>>>> of local >>>>>> resources and data with the reach of the web. Download the Adobe AIR >>>>>> SDK and >>>>>> Ajax docs to start building applications today- >>>>>> http://p.sf.net/sfu/adobe-com >>>>>> _______________________________________________ >>>>>> Jmol-users mailing list >>>>>> Jmo...@li... >>>>>> https://lists.sourceforge.net/lists/listinfo/jmol-users >>>>>> >>>>> >>>>> >>>>> >>>>> ------------------------------------------------------------------------------ >>>>> Create and Deploy Rich Internet Apps outside the browser with >>>>> Adobe(R)AIR(TM) >>>>> software. With Adobe AIR, Ajax developers can use existing skills and >>>>> code to >>>>> build responsive, highly engaging applications that combine the power >>>>> of local >>>>> resources and data with the reach of the web. Download the Adobe AIR >>>>> SDK and >>>>> Ajax docs to start building applications today- >>>>> http://p.sf.net/sfu/adobe-com >>>>> _______________________________________________ >>>>> Jmol-users mailing list >>>>> Jmo...@li... >>>>> https://lists.sourceforge.net/lists/listinfo/jmol-users >>>>> >>>>> >>>> >>>> >>>> -- >>>> Robert M. Hanson >>>> Professor of Chemistry >>>> St. Olaf College >>>> 1520 St. Olaf Ave. >>>> Northfield, MN 55057 >>>> http://www.stolaf.edu/people/hansonr >>>> phone: 507-786-3107 >>>> >>>> >>>> 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 >>>> >>>> >>>> ------------------------------------------------------------------------------ >>>> Create and Deploy Rich Internet Apps outside the browser with >>>> Adobe(R)AIR(TM) >>>> software. With Adobe AIR, Ajax developers can use existing skills and >>>> code to >>>> build responsive, highly engaging applications that combine the power of >>>> local >>>> resources and data with the reach of the web. Download the Adobe AIR SDK >>>> and >>>> Ajax docs to start building applications today- >>>> http://p.sf.net/sfu/adobe-com >>>> _______________________________________________ >>>> Jmol-users mailing list >>>> Jmo...@li... >>>> https://lists.sourceforge.net/lists/listinfo/jmol-users >>>> >>>> >>> >>> >>> ------------------------------------------------------------------------------ >>> Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, >>> CA >>> -OSBC tackles the biggest issue in open source: Open Sourcing the >>> Enterprise >>> -Strategies to boost innovation and cut costs with open source >>> participation >>> -Receive a $600 discount off the registration fee with the source code: >>> SFAD >>> http://p.sf.net/sfu/XcvMzF8H >>> _______________________________________________ >>> Jmol-users mailing list >>> Jmo...@li... >>> https://lists.sourceforge.net/lists/listinfo/jmol-users >>> >>> >> >> >> -- >> Robert M. Hanson >> Professor of Chemistry >> St. Olaf College >> 1520 St. Olaf Ave. >> Northfield, MN 55057 >> http://www.stolaf.edu/people/hansonr >> phone: 507-786-3107 >> >> >> 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 >> >> >> ------------------------------------------------------------------------------ >> Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, >> CA >> -OSBC tackles the biggest issue in open source: Open Sourcing the >> Enterprise >> -Strategies to boost innovation and cut costs with open source >> participation >> -Receive a $600 discount off the registration fee with the source code: >> SFAD >> http://p.sf.net/sfu/XcvMzF8H >> _______________________________________________ >> Jmol-users mailing list >> Jmo...@li... >> https://lists.sourceforge.net/lists/listinfo/jmol-users >> >> > |