VMD-L Mailing List

From: Willy Wriggers (wriggers_at_chemcca10.ucsd.edu)
Date: Mon Feb 01 1999 - 16:55:29 CST

Dear all:

I hereby announce the official release of Situs, a program package
for the docking of protein crystal structures to single-molecule,
low-resolution maps from electron microscopy.

The program package may be of interest to VMD users, as it takes
advantage of VMD's scripting capabilities to visualize isocontours
of volumetric (density) data in the VMD graphics window. The isocontours
(and the density gradient) are computed externally using an advanced
"marching cubes" algorithm. The produced files containing wire-frame or
solid-rendered, triangulated surfaces in VMD script format can be
sourced from within the VMD command console.

Note that the code (in C language) is free and could be easily embedded
in VMD itself.

For more info see http://chemcca10.ucsd.edu/~situs/

  Willy Wriggers, Ph.D.

- http://chemcca10.ucsd.edu/~wriggers -- wriggers_at_ucsd.edu
- Dept. of Chemistry and Biochemistry 0365,
  University of California, San Diego -- La Jolla, CA 92093.
  (619)534-2913 (tel), (619)534-7042 (fax).
- Dept. of Cell Biology MB25,
  The Scripps Research Institute -- La Jolla, CA 92037.
  (619)784-2701 (tel), (619)784-2749 (fax).