Computational Chemistry 1.5 - Python and Jupyter

[@chemistn.o5855]

That's exciting news! I'd really appreciate it if you could do some examples on how to create basic plots. Thank you so much for your effort!

[@TMPChem]

I'd recommend checking out the new "md program" video. All the PDF plots in there are generated by matplotlib.pyplot functions. The program is based in my GitHub "computational_chemistry" repository (github.com/tmpchem), where the modules are in the scripts/molecular_mechanics/mmlib directory. The "analyze.py" module contains the functions and classes for those plots. That along with some Googling should get you well on your way to effectively using matplotlib plots. I just starting using them a few months ago, and they were really quick and easy to learn if you already know Python.

[@satchelfrost6531]

This is awesome

[@TMPChem]

Glad you think so, Satchel.

[@hrwise89]

Sorry, maybe I missed something, but what did you mean by "selected i" to get into insert mode?

[@TMPChem]

Hi Henry. When I first loaded the program and the cursor was a blinking block, that is called "command mode". I then struck the letter "i" on my keyboard to enter "insert mode". In command mode I can do things like save the file or various other command-line-like operations. In insert mode I am free to enter any free-form text I like with any keystrokes on the keyboard.