From owner-chemistry@ccl.net Mon Nov 25 16:26:01 2013 From: "Julien Thibault tchetchenko:+:gmail.com" To: CCL Subject: CCL: API for the Basis Set Exchange Message-Id: <-49377-131125162359-18686-MzPk3z0OIHCwaERTS/Lbxg]![server.ccl.net> X-Original-From: Julien Thibault Content-Type: multipart/alternative; boundary=e89a8ff24d9b1c131d04ec06fb5a Date: Mon, 25 Nov 2013 14:23:53 -0700 MIME-Version: 1.0 Sent to CCL by: Julien Thibault [tchetchenko*gmail.com] --e89a8ff24d9b1c131d04ec06fb5a Content-Type: text/plain; charset=ISO-8859-1 Thanks Huub, exactly what i was looking for... ~Julien 2013/11/25 Van Dam, Hubertus J HubertusJJ.vanDam|pnnl.gov < owner-chemistry[#]ccl.net> > Hi Julien, > > > > The paper http://dx.doi.org/10.1021/ci600510j describes the > implementation of the Basis Set Exchange. In particular it refers to the > Web Services interface that should allow you to pull data from the > exchange. The web services interface is described at > http://purl.oclc.org/net/emsl/bse/services. If you need help with this > let me know. I have some requests from other people as well and I need to > find some time to address these queries. I am wondering whether I should > write a little tutorial on this topic. > > *Huub van Dam* > Pacific Northwest National Laboratory > Tel: 509-372-6441 > > > > > > *From:* owner-chemistry+hubertus.vandam==pnnl.gov ~ ccl.net [mailto: > owner-chemistry+hubertus.vandam==pnnl.gov ~ ccl.net] *On Behalf Of *Julien > Thibault tchetchenko%gmail.com > *Sent:* Saturday, November 23, 2013 1:46 PM > *To:* Van Dam, Hubertus J > *Subject:* CCL: API for the Basis Set Exchange > > > > Hi, > > I was wondering if anybody was aware of an open-source distribution of the > the basis set exchange database (https://bse.pnl.gov/bse/portal) so that > people can install it locally and/or access the database through an API > (REST? Java?) > > Regards, > > ~Julien > > > > -- > Julien Thibault > University of Utah > Department of Biomedical Informatics > Salt Lake City, UT > -- Julien Thibault University of Utah Department of Biomedical Informatics Salt Lake City, UT --e89a8ff24d9b1c131d04ec06fb5a Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Thanks Huub, exactly what i was looking for...
~Julien=


2013/11/2= 5 Van Dam, Hubertus J HubertusJJ.vanDam|pnnl.go= v <owner-chemistry[#]ccl.net>

Hi Julien,=

=A0<= /p>

The paper http://dx.doi.org/10.= 1021/ci600510j describes the implementation of the Basis Set Exchange. = In particular it refers to the Web Services interface that should allow you= to pull data from the exchange. The web services interface is described at= h= ttp://purl.oclc.org/net/emsl/bse/services. If you need help with this l= et me know. I have some requests from other people as well and I need to fi= nd some time to address these queries. I am wondering whether I should writ= e a little tutorial on this topic.

Huub van Dam=
Pacific Northwest National Laboratory=
Tel:=A0 509-372-6441 =



=A0

From: owner-ch= emistry+hubertus.vandam=3D=3D= pnnl.gov ~ ccl.net [ma= ilto:owner-chemistry+hubertus.vandam=3D=3Dpnnl.gov ~ cc= l.net] On Behalf Of Julien Thibault tchetchenko%gmail.com
Sent: Saturday, November 23, 2013 1:46 PM
To: Van Dam, Hub= ertus J
Subject: CCL: API for the Basis Set Exchange

=A0

Hi,=A0

I was wondering if anyb= ody was aware of an open-source distribution of the the basis set exchange = database (http= s://bse.pnl.gov/bse/portal) so that people can install it locally and/o= r access the database through an API (REST? Java?)

Regards,

~Julien

=A0

--=
Julien Thibault
University of Utah
Department of Biomedical Inf= ormatics
Salt Lake City, UT

=



--
Julien= Thibault
University of Utah
Department of Biomedical InformaticsSalt Lake City, UT
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