Browse Prior Art Database

Visualization of Molecular Structures Under the Graphigs API V2 Environment at IBM 6090 and RISC System/6000 Workstations

IP.com Disclosure Number: IPCOM000119831D
Original Publication Date: 1991-Mar-01
Included in the Prior Art Database: 2005-Apr-02
Document File: 2 page(s) / 71K

Publishing Venue

IBM

Related People

Dave, JV: AUTHOR [+2]

Abstract

A procedure is disclosed for the display of a ball-and-stick model of molecules using the NURBS (Non-Uniform Rational B-Splines) method which is supported under the graPHIGS* API V2 (1) at IBM 6090 and RISC System/6000* workstations.

This text was extracted from an ASCII text file.
This is the abbreviated version, containing approximately 52% of the total text.

Visualization of Molecular Structures Under the Graphigs API V2 Environment
at IBM 6090 and RISC System/6000 Workstations

      A procedure is disclosed for the display of a
ball-and-stick model of molecules using the NURBS (Non-Uniform
Rational B-Splines) method which is supported under the graPHIGS* API
V2 (1) at IBM 6090 and RISC System/6000* workstations.

      In one of the methods used for visualization of molecular
structures, atoms and bonds are represented by spheres and cylinders,
respectively (ball-and-stick model). Computer generation of such
models is a numerically intensive task requiring generation of
several thousands of polygons, and, hence, it is not feasible to use
it in an interactive mode (2).  Smooth rendering of low-order
parametric surfaces can be carried out very effectively by the NURBS
method (3) which is implemented, at the local level, in IBM 6090 and
in top models of RISC System/6000. In addition, local functions are
available for translation, rotation, zoom, pick, lighting, depth
cueing, and hidden surface removal operations on objects consisting
of NURBS surfaces.  The graPHIGS API V2 enables an application to
access these functions from any high-level language.

      In order to render spheres and open-ended cylinders for
representing atoms and bonds under the NURBS method, control points
and other incidental data are generated by enclosing them in a box
with a square cross-section.  There are 45 control points for a
sphere, and 18 for...