DHekstra

Harvard University

Pinned Repositories

CrickitMakeCode
MakeCode code for AP50
0 1 00
EF-X-crystal-MD
Setup and analysis of MD simulations mimicking the application of an external electric field to a protein crystal.
Language:Jupyter Notebook0 0 00
mpl-interactions
Sliders to control matplotlib and other interactive goodies. Works in any interactive backend and even uses ipywidgets when in a Jupyter notebook
Language:Python0 0 00
rs-booster-fork
Useful scripts for analyzing diffraction
Language:Python0 0 00
colav
Calculate protein structural representations (dihedral angles, CA pairwise distances, and strain analysis) for downstream analysis (e.g., PCA, t-SNE, or UMAP).
Language:Jupyter Notebook8 2 01
mdtools
Tools for running MD simulations in OpenMM
Language:Python6 2 22
phase-retrieval
A small library implementing phase retrieval algorithms for 2D images.
Language:Jupyter Notebook24 6 010
gemmi
macromolecular crystallography library and utilities
Language:C++240 18 19146
careless
Merge X-ray diffraction data with Wilson's priors, variational inference, and metadata
Language:Python16 7 726
reciprocalspaceship
Tools for exploring reciprocal space
Language:Python30 8 8714

DHekstra/CrickitMakeCode
MakeCode code for AP50
0 1 00
DHekstra/EF-X-crystal-MD
Setup and analysis of MD simulations mimicking the application of an external electric field to a protein crystal.
Language:Jupyter Notebook0 0 00
DHekstra/mpl-interactions
Sliders to control matplotlib and other interactive goodies. Works in any interactive backend and even uses ipywidgets when in a Jupyter notebook
Language:Python0 0 00
DHekstra/rs-booster-fork
Useful scripts for analyzing diffraction
Language:Python0 0 00