Large scale distributed data repository

Design of a molecular dynamics trajectory database

Michael Feig, Matin Abdullah, Lennart Johnsson, Bernard Pettitt

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The design of a molecular dynamics trajectory database is presented as an example of the organization of large-scale dynamic distributed repositories for scientific data. Large scientific datasets are usually interpreted through reduced data calculated by analysis functions. This allows a database architecture in which the analyzed datasets, that are kept in addition to the raw datasets, are transferred to a database user. A flexible user interface with a well defined Application Program Interface (API) allows for a wide array of analysis functions and the incorporation of user defined functions is a critical part of the database design. An analysis function is executed only when the requested analysis result is not available from an earlier request. A prototype implementation used to gain initial practical experiences with performance and scalability is presented.

Original languageEnglish (US)
Pages (from-to)101-110
Number of pages10
JournalFuture Generation Computer Systems
Volume16
Issue number1
DOIs
StatePublished - Nov 1999
Externally publishedYes

Fingerprint

Molecular dynamics
Trajectories
Application programs
User interfaces
Interfaces (computer)
Scalability

ASJC Scopus subject areas

  • Computer Science Applications
  • Hardware and Architecture
  • Control and Systems Engineering

Cite this

Large scale distributed data repository : Design of a molecular dynamics trajectory database. / Feig, Michael; Abdullah, Matin; Johnsson, Lennart; Pettitt, Bernard.

In: Future Generation Computer Systems, Vol. 16, No. 1, 11.1999, p. 101-110.

Research output: Contribution to journalArticle

Feig, Michael ; Abdullah, Matin ; Johnsson, Lennart ; Pettitt, Bernard. / Large scale distributed data repository : Design of a molecular dynamics trajectory database. In: Future Generation Computer Systems. 1999 ; Vol. 16, No. 1. pp. 101-110.
@article{5605ca51253b4576b648e3ccbb6c62d4,
title = "Large scale distributed data repository: Design of a molecular dynamics trajectory database",
abstract = "The design of a molecular dynamics trajectory database is presented as an example of the organization of large-scale dynamic distributed repositories for scientific data. Large scientific datasets are usually interpreted through reduced data calculated by analysis functions. This allows a database architecture in which the analyzed datasets, that are kept in addition to the raw datasets, are transferred to a database user. A flexible user interface with a well defined Application Program Interface (API) allows for a wide array of analysis functions and the incorporation of user defined functions is a critical part of the database design. An analysis function is executed only when the requested analysis result is not available from an earlier request. A prototype implementation used to gain initial practical experiences with performance and scalability is presented.",
author = "Michael Feig and Matin Abdullah and Lennart Johnsson and Bernard Pettitt",
year = "1999",
month = "11",
doi = "10.1016/S0167-739X(99)00039-4",
language = "English (US)",
volume = "16",
pages = "101--110",
journal = "Future Generation Computer Systems",
issn = "0167-739X",
publisher = "Elsevier",
number = "1",

}

TY - JOUR

T1 - Large scale distributed data repository

T2 - Design of a molecular dynamics trajectory database

AU - Feig, Michael

AU - Abdullah, Matin

AU - Johnsson, Lennart

AU - Pettitt, Bernard

PY - 1999/11

Y1 - 1999/11

N2 - The design of a molecular dynamics trajectory database is presented as an example of the organization of large-scale dynamic distributed repositories for scientific data. Large scientific datasets are usually interpreted through reduced data calculated by analysis functions. This allows a database architecture in which the analyzed datasets, that are kept in addition to the raw datasets, are transferred to a database user. A flexible user interface with a well defined Application Program Interface (API) allows for a wide array of analysis functions and the incorporation of user defined functions is a critical part of the database design. An analysis function is executed only when the requested analysis result is not available from an earlier request. A prototype implementation used to gain initial practical experiences with performance and scalability is presented.

AB - The design of a molecular dynamics trajectory database is presented as an example of the organization of large-scale dynamic distributed repositories for scientific data. Large scientific datasets are usually interpreted through reduced data calculated by analysis functions. This allows a database architecture in which the analyzed datasets, that are kept in addition to the raw datasets, are transferred to a database user. A flexible user interface with a well defined Application Program Interface (API) allows for a wide array of analysis functions and the incorporation of user defined functions is a critical part of the database design. An analysis function is executed only when the requested analysis result is not available from an earlier request. A prototype implementation used to gain initial practical experiences with performance and scalability is presented.

UR - http://www.scopus.com/inward/record.url?scp=0033340698&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033340698&partnerID=8YFLogxK

U2 - 10.1016/S0167-739X(99)00039-4

DO - 10.1016/S0167-739X(99)00039-4

M3 - Article

VL - 16

SP - 101

EP - 110

JO - Future Generation Computer Systems

JF - Future Generation Computer Systems

SN - 0167-739X

IS - 1

ER -