In this paper a parallel workflow for the reconstruction of molecular surfaces based on the isosurface extraction operation is proposed. The input is represented by the atonic coordinates of a molecule, the output is both its volumetric description and the isosurface that, on the basis of the user selection. corresponds to the Van der wails, Lee & Richards or Connolly Surface. The main feature of the workflow is represented by the efficient production of high resolution surfaces. This is a key aspect in Bioinformatics applications. considering that the amount of data to process may be very huge. This goal is achieved through a parallel implementation of the stages of the workflow.
A Parallel Workflow for the Reconstruction of Molecular Surfaces
D'Agostino D;Merelli I;Clematis A;Milanesi L;Orro A
2008
Abstract
In this paper a parallel workflow for the reconstruction of molecular surfaces based on the isosurface extraction operation is proposed. The input is represented by the atonic coordinates of a molecule, the output is both its volumetric description and the isosurface that, on the basis of the user selection. corresponds to the Van der wails, Lee & Richards or Connolly Surface. The main feature of the workflow is represented by the efficient production of high resolution surfaces. This is a key aspect in Bioinformatics applications. considering that the amount of data to process may be very huge. This goal is achieved through a parallel implementation of the stages of the workflow.| File | Dimensione | Formato | |
|---|---|---|---|
|
prod_178802-doc_13680.pdf
solo utenti autorizzati
Descrizione: Front matter
Dimensione
265.27 kB
Formato
Adobe PDF
|
265.27 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
|
prod_178802-doc_13681.pdf
solo utenti autorizzati
Descrizione: Article
Dimensione
236.25 kB
Formato
Adobe PDF
|
236.25 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
