Emmett Leddin's repositories
pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
research-scripts
Different run and analysis scripts as described in the research guides.
comp-chem-website
A Jekyll website for the research guides--UNIX, AMBER, Analysis, and R.
vim-cpptraj
Syntax highlighting for AMBER's cpptraj.
latex-templates
Templates for various projects using LaTeX
md-analysis-workflow
A Snakemake workflow for analyzing AMBER molecular dynamics simulations.
LICHEM-tutorial
Tutorial for using LICHEM with TINKER and Gaussian. Files: https://drive.google.com/drive/folders/1ci6bZxZR_D1eB84fKJWpduse6TcQ3aVD?usp=sharing
2020-06-05-files
Files for the py tutorial located at https://emleddin.github.io/2020-06-05-py-tutorial/
2020-06-05-py-tutorial
Tutorial for OpenMM and MDAnalysis
anki-step-res
Resources for Anki and STEP studying.
cassi-bibtex
Convert journal titles in a BibTeX file to Chemical Abstracts Service Source Index (CASSI) abbreviations.
2022-ACS-poster
Additional Information for my ACS poster
bioicons
A library of free open source icons for science illustrations in biology and chemistry
dissertation-code
Python scripts referenced in Chapter 3 of my dissertation.
emleddin.github.io
Cards-style site showing different projects I've worked on.
language-cpptraj
Atom package for syntax highlighting of AMBER's cpptraj.
python-EDA
A program ported to Python (but still slow)
QueersInCrisis
oSTEM 2020 Hackathon crisis resources project.
rmarkdown-thrive-test
A test of rendering the THRIVE site with Rmarkdown.
thrive-resource-app
A Shiny App for the THRIVE resource list
UNT-dissertation-template
An updated version of the UNT dissertation template that fixes bookmarks and style issues.
vsc-lang-cpptraj
cpptraj syntax highlighting for Visual Studio Code
weight-projector
A projected trendline for weight changes based on caloric intake.