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analysis_scripts

variety of different scripts for analysis of MD trajectories, general plotting, etc. in different of languages (bash, python, etc)

bretts-dotfiles

Brett Terpestra's dotfiles. AKA Give me that sweet app autocomple function.

careerplanning

A career planning guide.

clustering

VMD plugin to calculate and visualize clusters of conformations for a trajectory

command-line-text-processing

From finding text to search and replace, from sorting to beautifying text and more

compchemtools

Personal scripts to simplify computational chemistry activities

csv.js

A simple, blazing-fast CSV parser and encoder. Full RFC 4180 compliance.

datasharing

The Leek group guide to data sharing

dcd-header-manipulation

Utilities, example c-shell scripts (and libraries for compiling in C) for the manipulation of DCD/trajectory header manipulation for DCD/trajectoriey header manipulation utilities

entities

Character Entities for HTML, CSS (content) and Javascript.

firstpaper

free-social-icons

Vector based social icons made with Sketch App for mac

g09-quotify

AWK one liner to retrieve quotes from gaussion job outputs

gaussian-tools

Useful tools written for Gaussian (an electronic structure program for computational chemistry)

geektool-scripts

A collection of GeekTool shell scripts that I like to use on my Macs.

getthermo

A tool to obtain thermodynamic properties of chemical systems selecting normal modes which describes vibrational movement

gnuplot-palettes

Color palettes for gnuplot

goodvibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and haptic corrections

image-feature-detection-using-phase-stretch-transform

PST or Phase Stretch Transform is an operator that finds features in an image. PST takes an intensity image I as its input, and returns a binary image out of the same size as I, with 1's where the function finds sharp transitions in I and 0's elsewhere.

made-mistakes-jekyll

:ghost: Source for my website and blog (Jekyll + Gulp + Travis CI)

molecular_modeling_scripts

Different scripts for molecular modelling related tasks

mtheme

A modern LaTeX Beamer theme

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

pandoc-citeproc

Library and executable for using citeproc with pandoc

pbctools

Development version of the pbctools plugin for VMD.

pengyifan-bibtexformat

Bibtex format script in Perl

pomodoro

A simple pomodoro shell script

pyenergydiagrams

This is a simple script to plot energy profile diagrams using Python and matplotlib.

python_basics

:snake: Syntax, working with Shell commands, Files, Text Processing, and more...

readingpapers

A guide to reading scientific papers