CCL: API for the Basis Set Exchange



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

 

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Julien Thibault
University of Utah
Department of Biomedical Informatics
Salt Lake City, UT