ChemXSeer Digital Library Gaussian Search
Abstract
We report on the Gaussian file search system designed as part of the ChemXSeer digital library. Gaussian files are produced by the Gaussian software [4], a software package used for calculating molecular electronic structure and properties. The output files are semi-structured, allowing relatively easy access to the Gaussian attributes and metadata. Our system is currently capable of searching Gaussian documents using a boolean combination of atoms (chemical elements) and attributes. We have also implemented a faceted browsing feature on three important Gaussian attribute types - Basis Set, Job Type and Method Used. The faceted browsing feature enables a user to view and process a smaller, filtered subset of documents.
Cite
@article{arxiv.1104.4601,
title = {ChemXSeer Digital Library Gaussian Search},
author = {Shibamouli Lahiri and Juan Pablo Fernández Ramírez and Shikha Nangia and Prasenjit Mitra and C. Lee Giles and Karl T. Mueller},
journal= {arXiv preprint arXiv:1104.4601},
year = {2011}
}
Comments
4 pages, 6 figures, 2 tables