Diffusion accessibility as a method for visualizing macromolecular surface geometry.

ABSTRACT: Important three-dimensional spatial features such as depth and surface concavity can be difficult to convey clearly in the context of two-dimensional images. In the area of macromolecular visualization, the computer graphics technique of ray-tracing can be helpful, but further techniques for emphasizing surface concavity can give clearer perceptions of depth. The notion of diffusion accessibility is well-suited for emphasizing such features of macromolecular surfaces, but a method for calculating diffusion accessibility has not been made widely available. Here we make available a web-based platform that performs the necessary calculation by solving the Laplace equation for steady state diffusion, and produces scripts for visualization that emphasize surface depth by coloring according to d

SUBMITTER: Tsai Y 

PROVIDER: S-EPMC4594669 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature