Large scale distributed data repository: Design of a molecular dynamics trajectory database

Michael Feig, Matin Abdullah, Lennart Johnsson, B. Montgomery Pettitt

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


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
Issue number1
StatePublished - Nov 1999
Externally publishedYes

ASJC Scopus subject areas

  • Software
  • Hardware and Architecture
  • Computer Networks and Communications


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