Nick, check out http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
It's a little slow, but Jmol now reads Profile files created by Spartan (in the proper order!) and can display animations involving molecular orbitals, since those files may contain a full set of molecular orbitals for each step in the energy grid. This uses a new capability: The MO command now works on all frames that are visible, and you can have as many MOs as models. It looks like the fastest way to load the file set is to zip it up into one zip file and then load that rather than just uploading the full directory structure onto a website. Bob On Sat, Mar 21, 2009 at 8:21 AM, Robert Hanson <[email protected]> wrote: > OK, that's pretty much what I remembered. I'm working from the idea that > they COULD be zip files, because then you can zip them up and put them on > the web. But this should work fine either way. > > > On Sat, Mar 21, 2009 at 7:54 AM, Nick Greeves <[email protected]>wrote: > >> Bob,We had this issue a long time ago when you first read Spartan files. >> I think the problem was zipping happening in transit which made you think >> Spartan files were zip archives. There are not. >> When I sent more than one file (really a directory called xxx.spardir) I >> zipped them together. More recently when I sent one "file" I zipped that >> myself to try and avoid any changes in transit. >> >> So the short answer is I am creating the zip files not Spartan. It remains >> a possibility that when xxx.spardir is emailed it is zipped by some email >> clients and not automatically unzipped by some clients. >> >> If you think this ambiguity is causing a problem, I could put the files >> into my .Me filespace. >> >> If I recall, you ended up making Jmol able to read the zip files but I >> have not exploited this. >> >> All the best >> >> Nick >> >> -- >> >> 3D Organic Animations http://www.chemtube3d.com >> >> Tel: +44 (0)151-794-3506 (3500 secretary) >> >> >> >> >> On 21 Mar 2009, at 02:16, Robert Hanson wrote: >> >> Nick, I need to know something. Are these zip files files that you are >> creating for me, or are they themselves created by Spartan? I'd like to know >> if I should be trying to read the zip file itself. Please tell me exactly >> what Spartan produces. >> >> Bob >> >> >> On Fri, Mar 20, 2009 at 8:28 AM, Nick Greeves >> <[email protected]>wrote: >> >>> Bob,I thought you might relish this challenge! >>> Here is what I think you mean by a 2D example. I have varied two dihedral >>> angles. >>> All the best >>> Nick >>> -- >>> 3D Organic Animations http://www.chemtube3d.com >>> Tel: +44 (0)151-794-3506 (3500 secretary) >>> >>> >>> >>> >>> >>> >>> On 20 Mar 2009, at 05:19, Robert Hanson wrote: >>> >>> Nick, >>> >>> I have Spartan .spardir files returning with their proper orientation. >>> It was fun hacking the Molecule file. >>> >>> Bob >>> >>> >>> >>> >>> -- >>> 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 >>> >>> >>> >>> >> >> >> -- >> 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 >> >> >> > > > -- > 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 > -- 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
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