dedicated to my one and only brain cell. Kudos.
- got some questions?
- yeah, I also joined a computational lab with no prior experiences in coding
- yeah, the learning process was super miserable at the beginning
- yeah, nothing makes sense
- yeah, you might pick up (arguably) bad habits because you spend a month debugging code
- yeah, I
cried toocry all the time - no, it doesn't get better. You just get stronger :-)
:::{admonition} If you're new here :class: sidebar note
- skim through the quickstart section for a general overview of:
- quick & dirty introduction to our "lab equipment/research tools"
- general information on supercomputer access (and how to be nice / not waste resources)
- guide to help setup computer for research
- command-line : typing commands vs. clicking with mouse
- coding with
Python: downloading/managing, general use
- introduction to chemical structure file formats: PDBs, XYZs, and others
- Ask questions when you're confused !!!
- anyone in the lab will be able to answer or guide you to the answer
- Google will not be helpful
- stay hydrated !!! might cry
- Repeat Step 1. but read it this time, because you were too shy to ask questions :::
For Richard:
- find stuff I did and totally forgotten
- command-line things I picked up over the years
- compiling programs/software notes
- Simulation: Theory, Methods, Approaches
For you (probably):
- a place to start (Google sucks when you don't know what to Google)
- resources/guide to the world of computational chemistry
- notes from our programming session (I probably didn't explain something)
- explains (maybe) the coding workflow I developed over the Ph.D.