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Use of vector processing to search the Cambridge Structural Database.

A H Thiers¹, J H Noordik, J Boerhout

¹CAOS/CAMM Center, Faculty of Science, University of Nijmegen, The Netherlands.

Journal of Chemical Information and Computer Sciences

|February 1, 1990

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A new vectorized search procedure for the Cambridge Structural Database (CSD) significantly speeds up data retrieval. This method provides rapid, interactive access to crystallographic data, even for large datasets.

Area of Science:

Chemistry
Crystallography
Computer Science

Background:

The Cambridge Structural Database (CSD) is a large repository of crystallographic data.
The database experiences a significant annual growth rate of approximately 15% per year.
Efficient interactive data retrieval is crucial for database usability.

Purpose of the Study:

To develop an optimized search procedure for the Cambridge Structural Database (CSD).
To improve response times for interactive data retrieval using the new CSD file format.
To leverage advanced computing facilities for enhanced database performance.

Main Methods:

A vectorized search procedure was developed as a modification of the CSD program QUEST.
The procedure utilizes the pipelined vector facilities of the CONVEX C120 system.

Related Experiment Videos

Bitscreen logic was employed to perform rapid data filtering and retrieval.

Main Results:

The new search procedure achieves response times in the order of seconds for arbitrary queries.
The performance is nearly independent of the database size.
This represents a substantial improvement for interactive data retrieval from the CSD.

Conclusions:

The vectorized search procedure significantly enhances the efficiency of the Cambridge Structural Database (CSD).
This advancement enables rapid and interactive access to crystallographic data.
The optimized retrieval system is vital for managing and utilizing the growing CSD resource.