Re: [Blue-obelisk] RE: Blue-obelisk wiki redesign and planet BO

2007-06-19 Thread Rajarshi Guha
guess Rajarshi knows those details. Actually I think Christoph will have those details (he was the corresponding author) --- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B8

Re: [Blue-obelisk] Chemical blogspace move

2007-06-19 Thread Rajarshi Guha
e you considered using CML in which StatML fragments could be embedded to hold the data portions? --- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E63

Re: [Blue-obelisk] opendata QSAR data sets?

2007-05-29 Thread Rajarshi Guha
On May 29, 2007, at 8:36 AM, Egon Willighagen wrote: On Tuesday 29 May 2007, Rajarshi Guha wrote: On May 29, 2007, at 5:57 AM, Egon Willighagen wrote: Hi QSAR-interested among us, should we attempt to set up a repository for opendata QSAR data sets, like [1] What is [1]? sorry

Re: [Blue-obelisk] opendata QSAR data sets?

2007-05-29 Thread Rajarshi Guha
interesting to see RDF/SPARQL or similar things in place to allow creating subsets for one specific property as input to statistics software. Sounds like a good idea --- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint

Re: [Blue-obelisk] a csd alternative

2007-05-18 Thread Rajarshi Guha
. --- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE --- A sine curve goes off to infinity, or at least the end of the blac

Re: [Blue-obelisk] Blue Obelisk SF project approved. Ready to start moving.

2007-05-16 Thread Rajarshi Guha
. You can add me (rajarshi) --- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE --- All theoretical chemistry is

Re: [Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-04-27 Thread Rajarshi Guha
ourceforge.net/): > > from SOAPpy import WSDL > wsdlFile = 'http://rguha.ath.cx:8080/pws/services/Structure?wsdl' > server = WSDL.Proxy(wsdlFile) > print server.getSimilesByCID(['801']) It runs for me here. The output is : ['C1=CC=C2C(=C1)C(=CN2)CC(=O)

Re: [Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-04-23 Thread Rajarshi Guha
On Mon, 2007-04-23 at 10:08 +0100, Noel O'Boyle wrote: > The good thing about this is that it's easy to do and lightweight. The > bad thing is that it is not well known outside of Javascript, although > according to http://www.json.org/, parsers are available for every > language under the sun. >

[Blue-obelisk] [Fwd: CCL: CSE-Online -- Computational Chemistry Environment]

2007-04-17 Thread Rajarshi Guha
> > Thanh N. Truong, Professor > > > > Henry Eyring Center for Theoretical Chemistry > > Department of Chemistry > > University of Utah > > 315 South 1400 East, rm 2020 > > Salt Lake City, UT 84112 > > >

Re: [Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-03-20 Thread Rajarshi Guha
i. Does anybody have any experience with the Mozilla SOAP api? --- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE --- Without love intelligence is d

Re: [Blue-obelisk] Second call: Date, time and place for Blue Obelisk Meeting in Chicago

2007-03-01 Thread Rajarshi Guha
On Thu, 2007-03-01 at 22:00 +0100, Christoph Steinbeck wrote: > Dear all, > > as I wrote earlier, the Blue Obelisk meeting in Chicago will be quite > well visited. Confirmed participants are: > > - Jean-Claude Bradley > - Warren Delano > - Rajarshi Guha > - Peter

Re: [Blue-obelisk] Yahoo pipes

2007-02-12 Thread Rajarshi Guha
On Mon, 2007-02-12 at 16:40 +, Rzepa, Henry wrote: > At 09:45 -0500 12/2/07, Rajarshi Guha wrote: > >On Mon, 2007-02-12 at 12:44 +, Noel O'Boyle wrote: > >> Maybe some of you can think up of some nice uses for Yahoo Pipes, > >> which seems to be

Re: [Blue-obelisk] Yahoo pipes

2007-02-12 Thread Rajarshi Guha
ow right now as we're trying to improve performance of the DB. Similarly, I'll be putting up a CMLRSS feed for a docking DB that we are populating. ------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0C