Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Robert Hanson
And, here it is! https://chemapps.stolaf.edu/olcc/examples/js/CDK_image_JS.htm Very slick! All suggestions welcome at http://olcc.ccce.divched.org/content/prog-access by the way... Bob On Tue, Aug 30, 2016 at 11:09 PM, Robert Hanson wrote: > No, I had not seen that.

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Rajarshi Guha
I confess to being in the same boat as Egon. However, it would be handy to have a set of generally available REST endpoints (in particular depictions). On Tue, Aug 30, 2016 at 8:22 AM, Egon Willighagen < egon.willigha...@gmail.com> wrote: > On Tue, Aug 30, 2016 at 2:16 PM, Robert Hanson

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Egon Willighagen
OK, thanks! I'll have a look at it asap! Egon On Tue, Aug 30, 2016 at 2:19 PM, Rajarshi Guha wrote: > Sources are at http://rest.rguha.net - probably a good idea to put them in a > repo and mavenize. Might also be worth moving to Jersey > > On Tue, Aug 30, 2016 at 8:13

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Egon Willighagen
On Tue, Aug 30, 2016 at 2:16 PM, Robert Hanson wrote: > Maybe some of you want to help! Want is one thing... actually have time (read: some good reason to spend project hours on it...), that's another... Bob, you may also be interested in John May's 2D depiction, but I guess

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Robert Hanson
I'd like to showcase this in an on line cheminformatics course. http://olcc.ccce.divched.org/ Maybe some of you want to help! Bob On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen < egon.willigha...@gmail.com> wrote: > > Rajarshi, Ola, > > where is the code base? Then I can look at updating

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Egon Willighagen
Rajarshi, Ola, where is the code base? Then I can look at updating the code. The QSAR stack has not changed a lot, neither has the SMILES parsing API. I think I can fix it without much trouble, if there is a git repository and build instructions... Then Ola and I can look at updating the

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Ola Spjuth
Hi, Yes, I can confirm that we have been hosting this for some time. We used it in the past, but I dot think we are using it anymore. I would be happy to continue hosting an updated version. Ola On 30 aug. 2016, at 03:04, Rajarshi Guha

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-29 Thread Rajarshi Guha
I think Ola Spjuth was/is hosting this. The code is a set of REST services described at http://rest.rguha.net - it hasn't been updated in many years. The JAR file should run and the code should compile (I think it includes the relevant CDK dependencies). But it's many version behind the latest