COMPMonday, August 17, 2009

8:30 AM-11:45 AM Walter E. Washington Convention Center -- 146B, Oral
Scripting & Programming
Tools of the Trade
Organizers:Joseph M Leonard
Jeff R. Hammond
Chris Harwell
Rommie E Amaro
Rajarshi Guha
Organizer, Presiding:Emilio Xavier Esposito
8:30 AMIntroductory Remarks
8:35 AMThe snake that fits your brain: Python for computational chemists
Gregory A. Landrum
9:10 AMThe Cactvs Chemoinformatics Toolkit: Universal chemical information processing with Tcl scripts
Wolf-Dietrich Ihlenfeldt
9:45 AMVision: A software tool for visual programming and scientific workflows
Michel F. Sanner
10:20 AMIntermission
10:30 AMCrunching molecules and numbers in R
Rajarshi Guha
11:05 AMOptical structure recognition application
Igor V. Filippov, Marc C. Nicklaus
11:40 AMConcluding Remarks

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 238th ACS National Meeting, Washington, DC, August 16-20, 2009