A connected set algorithm for the identification of spatially contiguous regions in crystallographic envelopes

John F. Hunt, Frederic M D Vellieux, Johann Deisenhofer

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

A simple algorithm is described for the identification of spatially contiguous regions in crystallographic envelopes. In a single pass through the grid points of the envelope map, the occupied points are assigned to a series of locally contiguous sets based on consideration of the connections within single voxels. A spatially contiguous region is identified as the union of all of the locally contiguous sets that share an element in common. Therefore, chains of spatial connectivity are traced implicitly by performing simple set operations. This algorithm has been implemented in the program CNCTDENV as part of the DEMON/ANGEL suite of density-modification programs.

Original languageEnglish (US)
Pages (from-to)434-437
Number of pages4
JournalActa Crystallographica Section D: Biological Crystallography
Volume53
Issue number4
DOIs
StatePublished - Jan 1 1997

ASJC Scopus subject areas

  • Structural Biology

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