Multiresolution analysis of electron density maps

Project: Research

Description

Topological analysis of electron density maps of molecular structures is carried out at various resolution levels. Maps are constructed using calculated structure factors or wavelet-based smoothing procedures. Then follows a topological analysis approach in order to determine their critical point representation (local density maxima, saddle points, ...) which is easily manipulated for structural comparison.
StatusActive
Effective start/end date1/09/95 → …

Keywords

  • similarity
  • electron density maps
  • topological analysis
  • multiresolution analysis
  • wavelets
  • pattern recognition
  • NARILIS
  • naXys
  • NISM