Re: [Jmol-users] Let's Not Forget PubChem

Already I break my promise! Please note that I built a 1 second delay into the PubChem call. PubChem is not as slow as my page suggests. I’m just trying to keep enthusiastic fast drawing users from exceeding PubChem's 3 request per second red flag. This would not be a problem in a click to get

Re: [Jmol-users] Let's Not Forget PubChem

OK, I promise I’ll drop this subject after this note! I put together a quick and dirty head to head JSME SMILES to IUPAC competition between Resolver and PubChem. I simply added PubChem IUPAC to Peter Ertl’s Resolver IUPAC test page: http://chemagic.org/molecules/jsme9.htm Don’t go bonkers

Re: [Jmol-users] Let's Not Forget PubChem

ps; adding info = eval("JSON",x) much faster JSON parsing than just eval(x); On Mon, May 9, 2016 at 6:39 PM, Otis Rothenberger wrote: > Bob, > > They know it! They are the ones who pointed this out to me after my > conventional JSON extraction failed on some compounds.

Re: [Jmol-users] Let's Not Forget PubChem

Bob, They know it! They are the ones who pointed this out to me after my conventional JSON extraction failed on some compounds. They explained the necessity of this type of loop to me: var p = data.PC_Compounds[0].props; pubCid = data.PC_Compounds[0].id.id.cid; for (var

Re: [Jmol-users] Let's Not Forget PubChem

On Mon, May 9, 2016 at 4:30 PM, Otis Rothenberger wrote: > I’ve hinted at this before, but Pierluigi’s note gives me cause to be > specific: Let’s not forget PubChem as a source of data other than 3d > coordinates! > > Over the years, Jmol has become research and teaching

[Jmol-users] Let's Not Forget PubChem

I’ve hinted at this before, but Pierluigi’s note gives me cause to be specific: Let’s not forget PubChem as a source of data other than 3d coordinates! Over the years, Jmol has become research and teaching powerful - no VERY powerful. Resolver was a logical partner for Jmol because it is also