* pyIPINE.py by Woonghee Lee, Ph.D. * Python script for submitting and retrieving an I-PINE job * Last updated: December 6, 2018 Example: # Fetch BMRB 6457 and make an assignment file to run python pyIPINE.py --bmrb=6457 --out=assign_file.str --test # Make a template control file python pyIPINE.py --out=control_file.txt --template # Set user name and an email to receive results (recommended) # Note that a text editor can be used instead of 'sed' tool. sed -i -e 's/user_name/user_name Woonghee/g' control_file.txt sed -i -e 's/e_mail/e_mail whlee@nmrfam.wisc.edu/g' control_file.txt # Set the assignment file made from BMRB 6457 # Note that a text editor can be used instead of 'sed' tool. sed -i -e 's/sequence myseq.txt/sequence assign_file.str.seq/g' control_file.txt sed -i -e 's/#assign_file/assign_file assign_file.str/g' control_file.txt # Submit a job. A random ID will be reported unless set in the control file. python pyIPINE.py --in=control_file.txt --submit # View the results in the web browser python pyIPINE.py --job_id=######_######_###### --web # Download the results with a job ID python pyIPINE.py --job_id=######_######_###### --download