Lecture Notes

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Computational Chemistry (CCB 438/550), Spring, 2020

  1. Course syllabus.

  2. Getting an Amarel account: If you don't already have one, request a user account on Amarel by visiting https://oarc.rutgers.edu/access. Use a terminal application (or something like putty on Windows) to carry out a trial login.

  3. Homework #1 Go through the following self-guided tutorials:

  4. Here is the XrayPrep script discussed in class on Jan. 27.

  5. Here is the documentation for RDB; concentrate on the operators highlighted in yellow.

  6. Homework #2, due Feb. 12 Assignment is here.

  7. Homework #3, due Feb. 19 Assignment is here.

  8. Homework #4, due Mar. 4 Assignment is here.



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Updated on February 26, 2020. Comments to case@biomaps.rutgers.edu