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natedey / RINRUS

Residue Interaction Network ResidUe Selector
MIT License
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adding a header to the RINRUS driver #40

Open natedey opened 10 months ago

natedey commented 10 months ago

Would be nice for the driver log file to have a header with developer attribution/email address, dev or private version, and date pulled from github if possible

tsantaloci commented 9 months ago

Good Idea!

natedey commented 7 months ago

We need to clean up driver_input_example too

  1. move "to do" comments into github issues
  2. improve a few defaults (multiplicity = 1)
  3. concisely list defaults if not already in the RINRUS_driver.py
  4. hard coded paths need to be changed. I noticed $USER doesn't work in the input file. How to pass that to RINRUS?