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1994 Media Coverage
- 1994: A very long 2-page article appears in University at Buffalo
Research (1993 Year-End Report) entitled "New technique solves structure
of molecule overnight". There is a picture of both Nobel Laureate Herbert A. Hauptman and
Dr. Russ Miller.
The article goes into great detail describing the Shake-and-Bake method
of molecular structure determination, the SnB program, and the ability of
the program to solve the Gramicidin A structure literally overnight.
While Gramicidin A was previously solved over a 10+ year period, this represents
a breakthrough in direct methods molecular structure determination in terms
of both size and quality of a structure. Miller is quoted as saying that
"our algorithm takes as input tens of thousands of random molecules, generated
by the computer, and from each produces a potential solution. We need
to generate enough potential solutions so that, with high probability, we are able to guarantee
that one of them will represents the correct molecule." Miller goes on to
describe that Hauptman's Minimal Function is used as a figure of merit for
directing the SnB search procedure as well as for predicting which of the
final molecules are candidates for a correct solution and are worth
staff time in terms of a thorough examination. The article states
that this team has spent nearly three years developing a refining
this technique which has been successfully applied to a number of structures. Finally, the article concludes with a description of the parallel machines
that are used to run the program and credits NIH and NSF with providing the funding for this project.
- 1994: A beautiful large trifold is issued by the Pittsburgh
Supercomputing Center entitled simply "Overview". There is an excellent
picture of
Dr. Russ Miller
with a caption that reads "Russ Miller of SUNY at Buffalo discusses
parallel solutions to the phase problem in X-ray crystallography
at one of the center's biweekly seminars."
The Pittsburgh Supercomputing Center issued the following releases at
some point (currently unknown):
PSC-1994-Report and
PSC-Interview.
- Spring, 1994: An article in FNSM Focus states that
Dr. Russ Miller
was on the program committee for the Eighth International Parallel Processing
Symposium, sponsored by teh IEEE Computer Society in Cancun, Mexico. It also
states that Dr. Miller was on the program committee of the 12th International
Conference on Pattern Recognition in Jerusalem, Israel.
- March/April, 1994: An article appeared in PSC News
announcing the July workshop that will be offered by Drs. Axel Brunger,
Russ Miller,
and Dr. Herbert A. Hauptman. The workshop is on Computational X-ray
Crystallography and will introduce participants to theoretical and
computational analysis of both small molecular and
macromolecular X-ray crystallographic data.
- March, 1994: An article appears in the American Crystallographic
Association Newsletter announcing a "Computational X-Ray Crystallography
Workshop" to be held in at the Pittsburgh Supercomputing Center in July.
The workshop leaders will be Dr. Herbert A. Hauptman, Dr. Axel Brunger,
and Dr. Russ Miller.
The announcement goes on to describe the details of this 4-day workshop
including detailed discussions of X-PLOR, Shake-and-Bake, and SnB.
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