Tutorial and FAQ

SIMPLE Predictor is not available during holidays due to maintenance.

SIMPLE Predictor is not available due to maintenance of computing clusters. Users can still submit jobs. but all jobs will be run after the computer clusters are on.

Tutorial

• Submit a New Simple Job
  
  

FAQ

• How long does it take to complete a job?
  Usually, SIMPLE will take 3 to 15 minutes to complete one job by one processor depending on the size of protein and the number of mutations. But right now, we haven't allocate special computer nodes for SIMPLE jobs. All SIMPLE jobs, PepDock jobs and Molecule Dynamic simulation jobs will be submitted into one queuing system. So it may take longer to complete a SIMPLE job when the computing clusters are occupied by other jobs.
  
• What's the status of a job?
  A SIMPLE job will go through several stages until it is done: registered, submitted, finished and emailed.
  "registered": user successfully submit the job online through web page.
  "submitted": the job has been submitted into queuing system and is waiting to run.
  "finished": queuing system finished running the job.
  "emailed": the job result is ready and has been emailed back to user.
  
• How to understand the job results?
  
  
• How to contact us?
  If you have further question, please contact Weiyi Zhang (weiyi.zhang2008@gmail.com) or Dr. Carlos Camacho (ccamacho@pitt.edu).