Cyberinfrastructure in New York State - Grid Computing: Infrastructure, Service, and Applications - page 35

FIGURE 2.1 ( Continued ) (b) Select the software application to be used ( BnP , a molecular
structure determination package). (c) Select execution options and upload i les from the local
computer. (d) Input additional information about the molecular structure. ( Continued )
collection of results, runtime status, and so forth. The template provides a
l exible methodology that promotes efi cient porting and utilization of
scientii c routines. It also provides a systematic approach for allowing
users to take advantage of sophisticated applications by storing critical
application and user information in a MySQL database. Most applications
have been ported to our grid portal within two weeks.