It should work fine (This is the original code form the example page). > 1) Let's use the upper JSME to write a molecule and to transfer into JSMol. > To describe the problems, it is better to have a look onto the page: In the past Robert and Otis showed that OPSIN have some issues, but at least, under the guidance of teachers this could be useful to make the system working for nearly all molecules (provided that OPSIN is able to recognize it). So, we could always have an answer, unless we wrote a wrong name (i.e. > I saw that the JSMol request to NCI is treated by NCI with the help of OPSIN, because for molecules that are not in the NCI DB a IUPAC name is issued. > The idea is to replicate the JSME and JSMol instances to use them to check for a IUPAC name of a substance you can draw in JSME. > I am trying to use the code of a JSMol example page onto my site. > I have a problem in a page I am trying to build. > On Dec 2, 2017, at 4:30 PM, Pierluigi Quagliotto wrote: I’m getting erratic results with your page. The model in the Jmol window will not be the same as the name in the box! It stands at the front door of Resolver to catch IUPAC queries so that Resolver will know to go into calculate mode for an IUPAC rather than look-up mode.Īlso note that if you enter 2-chlorobutane into the look-up name box, Resolver will generate one of the two stereoisomers. It will only recognize many (maybe most) IUPAC names. Remember OPSIN will not generate an IUPAC name. If you query a name, then database lookup is used by Resolver. SMILES, InChI, or **IUPAC**), then there is no database look-up. If you query Resolver with an identifier that stipulates connectivity (e.g. I’m still working on understanding your page, but there is an important point that should be stated up front. Questa e-mail è stata controllata per individuare virus con Avast antivirus. If would ask you if you can have a look onto it, and if I made someĬonceptual mistakes in the JSME-JSMol connection and if, base on yourĮxperience and in principle, this idea could work. Releases, a small contribution to use JSMOl in a different way. The properly arranged page, could be also a test page for future JSMol Teaching and for student self-evaluation on nomenclature. I would like to make this page working, since it should be useful for
Jme1 = Jmol.getJMEApplet(jme1, JMEInfo1, jmol1) Jmol1 = Jmol.getApplet(jmol1, JmolInfo1) Jme = Jmol.getJMEApplet(jme, JMEInfo, jmol) Names of the apps are different and the instances should be different:
I do not know if I made some mistakes in programming. Should not communicate (due to the different names of the apps). Lower) JSMol, it appears that there is communication between apps which On the upper JSME and on the lower panel one try to transfer to (the The JSME field willĬontinue to contain the first SMILES and there is no way to made ti working.Ĥ) Other strange behavior are observed. Of the page changes only for the JSMol field. Try to transfer the molecule into JSME, the SMILES shown at the bottom Window showing that the answer is correct ("Correct!").ģ) let's think to give the wrong answer.one should expect to If one clicks on the Check Name with JSME button, the system produces a itĭoes not work, apparently, no molecule appears in JSME, but the SMILES Let's transfer the obtained molecule in the related JSME. Submit to NCI to obtain a 3D structure, by clicking onto the searchīutton. It should work fine (This is the original code form the exampleĢ) Now, using the lower JSMol, write a name in the proper space and To describe the problems, it is better to have a look onto the page:ġ) Let's use the upper JSME to write a molecule and to transfer into Useful to make the system working for nearly all molecules (provided Some issues, but at least, under the guidance of teachers this could be In the past Robert and Otis showed that OPSIN have So, we could always have an answer, unless we wrote a wrong name OPSIN, because for molecules that are not in the NCI DB a IUPAC name is I saw that the JSMol request to NCI is treated by NCI with the help of The idea is to replicate the JSME and JSMol instances to use them toĬheck for a IUPAC name of a substance you can draw in JSME. I am trying to use the code of a JSMol example page onto my site. I have a problem in a page I am trying to build.