Hi Angel Thanks for your note but I was hoping to be able to exhibit the full flavour of a GAMESS (US) log file, for example, I've got an IRC of a dehyrdation reaction which I'd like to be able to share with not only the cognescenti (those on this group) but the non-cognescenti (intelligent and capable chemists who haven't realised the potential that Moore's law is unlocking for computational chemistry). With this in mind, a smiles string wouldn't cut it.
All the best Darren. On 6 December 2014 at 10:26, Angel Herráez <angel.herr...@uah.es> wrote: > Hi Darren > > There are two issues in your question > 1. where to locate the page that holds Jmol (I have understood you do not > want to create it) > 2. where to locate the data file > > There is something similar implemented, e.g. in Wikipedia. Many molecules, > like https://en.wikipedia.org/wiki/Citrate > have in their ChemBox a "Jmol-3D images" link that takes to Bob Hanson's > page, http://chemapps.stolaf.edu/jmol/jmol.php > which delivers the structure loaded into JSmol. > However, this works using the SMILES string for the molecule introduced in > the url, and the structure itself is hence fetched from the NCI Cactus server > (a procedure that is implemented inside JSmol) > > I am not sure if/how the php page will aceppt a file stored in an arbitrary > server. J(S)mol itself is indeed able to do such a thing, but that may need > some tweaking in the receiving (php) page. > > Do you have a sample model file and location? > > This does not refute the other solutions commented, it's just an additional or > alternative comment. > > > > ------------------------------------------------------------------------------ > Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server > from Actuate! Instantly Supercharge Your Business Reports and Dashboards > with Interactivity, Sharing, Native Excel Exports, App Integration & more > Get technology previously reserved for billion-dollar corporations, FREE > http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users -- "I have no doubt that if a party creates and sends an electronically created document then he will be treated as having signed it to the same extent that he would in law be treated as having signed a hard copy of the same document. The fact that the document is created electronically as opposed to as a hard copy can make no difference." Pelling J in Mehta v J Pereira Fernandes SA [2006] EWHC 813 (Ch) Key ID:- 0xB76FE0B9 http://pgpkeys.mit.edu:11371/ ------------------------------------------------------------------------------ Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server from Actuate! Instantly Supercharge Your Business Reports and Dashboards with Interactivity, Sharing, Native Excel Exports, App Integration & more Get technology previously reserved for billion-dollar corporations, FREE http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
