Computer Generated Display and Manipulation of a General Molecule To facilitate the eonslmct.ion and marlipdation of a three-dimensional moleenlar model, we have designed m d written algorithms which t,ransforn~topological and geometrical information into dynalnic molecdar displays. Given the internal coordinates of a general molecule and vectors of atom connectivities and itturn types, the algorithms generate malecdar rep~.esentationswhich are displayed in perspective with atom centers and bonds represented as points and lines. With regard tu the screen image of t,he moleede, the following me*nipulat,iveoptions are provided:
1. 2. 3. 4.
Scaling Horizontal and vertical trrtnslation Iliscreteor continuous rotat,ion around the S,Y, or Z axis defined with respect to the screen Alteration of internal coordinates (bond lengths, bond anglas, and dihedral angles), stum-atom connectivity, a n d ~.l.,,rn I,v"~.
