用于虚拟配体筛选工具的集群感知图形用户界面。

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

作者信息

Ramjan Zachary H, Raheja Amar, Floriano Wely B

机构信息

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

出版信息

Annu Int Conf IEEE Eng Med Biol Soc. 2008;2008:4102-5. doi: 10.1109/IEMBS.2008.4650111.

DOI:10.1109/IEMBS.2008.4650111

PMID:19163614

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.

摘要

在本文中，我们描述了用于虚拟配体筛选（VLS）计算机应用程序Cassandra的图形用户界面（GUI）的设计与实现。该GUI使用Trolltech QT4和Perl设计，旨在使Cassandra的执行对用户更加友好。通过此GUI，用户可以在单机和高性能计算集群（HPCC）上管理多个并发的交互式数据路径。该GUI成功降低了使用Cassandra的复杂性和陡峭的学习曲线，以及执行VLS项目的平均时间。结果，我们减少了培训新用户所需的时间，增加了用户数量，提高了Cassandra的整体效率，并优化了数据处理与分析。