CA2239146A1 - Method and apparatus for determining internal n-dimensional topology of a system within a space - Google Patents

Method and apparatus for determining internal n-dimensional topology of a system within a space

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Publication number
CA2239146A1
CA2239146A1 CA002239146A CA2239146A CA2239146A1 CA 2239146 A1 CA2239146 A1 CA 2239146A1 CA 002239146 A CA002239146 A CA 002239146A CA 2239146 A CA2239146 A CA 2239146A CA 2239146 A1 CA2239146 A1 CA 2239146A1
Authority
CA
Canada
Prior art keywords
volume
critical points
space
relative density
continuous relative
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Granted
Application number
CA002239146A
Other languages
French (fr)
Other versions
CA2239146C (en
Inventor
Kenneth E. Edgecombe
Alan D. Ableson
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Queens University at Kingston
Original Assignee
Queens University at Kingston
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Queens University at Kingston filed Critical Queens University at Kingston
Publication of CA2239146A1 publication Critical patent/CA2239146A1/en
Application granted granted Critical
Publication of CA2239146C publication Critical patent/CA2239146C/en
Anticipated expiration legal-status Critical
Expired - Fee Related legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/20—Protein or domain folding
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment

Abstract

This invention relates to methods and apparatus for determining the multi-dimensional topology of a substance (system) within a volume (space). A method according to a preferred embodiment of the invention comprises the steps of: acquiring a set of relative values for the density (scalar properties) of the volume, each value for a given location (point) within the volume; interpolating a set of functions to generate a continuous relative density for the volume; identifying critical points of the continuous relative density by using an eigenvector following method; and associating critical points with one another by following a gradient path of the continuous relative density between the critical points.
The method is applicable to a wide range of data relating to fields such as crystallography, fluid dynamics, edge detection, and financial markets, to determine the topology of structures contained therein.
CA002239146A 1997-05-30 1998-05-29 Method and apparatus for determining internal n-dimensional topology of a system within a space Expired - Fee Related CA2239146C (en)

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
US4806797P 1997-05-30 1997-05-30
US60/048,067 1997-05-30
US5956397P 1997-09-19 1997-09-19
US60/059,563 1997-09-19

Publications (2)

Publication Number Publication Date
CA2239146A1 true CA2239146A1 (en) 1998-11-30
CA2239146C CA2239146C (en) 2007-08-07

Family

ID=26725754

Family Applications (1)

Application Number Title Priority Date Filing Date
CA002239146A Expired - Fee Related CA2239146C (en) 1997-05-30 1998-05-29 Method and apparatus for determining internal n-dimensional topology of a system within a space

Country Status (2)

Country Link
US (2) US6345235B1 (en)
CA (1) CA2239146C (en)

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Also Published As

Publication number Publication date
US6345235B1 (en) 2002-02-05
US20020111761A1 (en) 2002-08-15
CA2239146C (en) 2007-08-07
US6516277B2 (en) 2003-02-04

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