Molecular surface mesh generation by filtering electron density map.
Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van derWaals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorith...
| Publicado en: | International Journal of Biomedical Imaging pp. 9p - 10 |
|---|---|
| Autores principales: | , |
| Formato: | diagnostic images equations & formulas research tables/charts Journal Article |
| Publicado: |
Wiley-Blackwell
2010
|
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=105205303&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 105205303 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 16874188 1WZI jtl: International Journal of Biomedical Imaging issn: 16874188 maglogo: N pubinfo: dt: 2010 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 105205303 2010659823 10.1155/2010/923780 NLM20414352 PMC2856016 105205303 ppf: 9p ppct: 1 formats: tig: atl: Molecular surface mesh generation by filtering electron density map. aug: au: Giard J Macq B affil: Communications and Remote Sensing Laboratory, Catholic University of Louvain, B-1348 Louvain-la-Neuve, Belgium. sug: subj: Bioinformatics Proteins Analysis Algorithms Comparative Studies Funding Source Human Image Processing, Computer Assisted Validation Studies ab: Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van derWaals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron densitymap. The densitymap is the result of the maximumof Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface. pubtype: Academic Journal doctype: diagnostic images equations & formulas research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
|---|