A cluster-aware graphical user interface for a virtual ligand screening tool

Author

Ramjan, Zachary H. ; Raheja, Amar ; Floriano, Wely B.

Author_Institution

Bioinformatics and Computational Biology group at the California State Polytechnic University, Pomona, 91768, USA

fYear

2008

fDate

20-25 Aug. 2008

Firstpage

4102

Lastpage

4105

Abstract

In this paper, we describe the design and implementation of a Graphical User Interface (GUI) for Cassandra, a computer application for Virtual Ligand Screening (VLS). The GUI was designed using Trolltech QT4 and Perl, and serves the purpose of making the execution of Cassandra more user-friendly. Through this GUI, users can manage multiple concurrent, interactive data paths both on a single machine and on a High Performance Computing Cluster (HPCC). The GUI successfully decreased the complexity and steep learning curve of using Cassandra, and the average time to execute a VLS project. As result, we reduced the time necessary to train new users, increased the number of users, increased the overall efficiency of Cassandra, and optimized data handling and analysis.

Keywords

Application software; Computer applications; Computer interfaces; Concurrent computing; Conference management; Graphical user interfaces; High performance computing; Libraries; Proteins; Protocols; Algorithms; Cluster Analysis; Computational Biology; Computer Graphics; Computers; Ligands; Pattern Recognition, Automated; Programming Languages; Reproducibility of Results; Software; User-Computer Interface;

fLanguage

English

Publisher

ieee

Conference_Titel

Engineering in Medicine and Biology Society, 2008. EMBS 2008. 30th Annual International Conference of the IEEE

Conference_Location

Vancouver, BC

ISSN

1557-170X

Print_ISBN

978-1-4244-1814-5

Electronic_ISBN

1557-170X

Type

conf

DOI

10.1109/IEMBS.2008.4650111

Filename

4650111