Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.
ImageD11 is a python code for identifying individual grains in spotty area detector X-ray diffraction images.
ISPyB web application
Data processing for serial crystallography
Structural Analysis of Porphyrinoids & Corrinoids
Distribution of LaueTools Package for Laue pattern analysis
Ab initio Modelling of Proteins for moLEcular replacement
refleX - A system for automatic anomaly detection in X-ray diffraction images.
C++ package that provides tools for correcting structural predictions of proteins (eg. from X-Ray Crystallography or AlphaFold) using X-ray small-angle scattering (SAXS) in solution
Sequence Independent Molecular replacement Based on Available Database
This repository is for a simple C++ console application that can read POSCAR files and print atomic distances between one atom and a selection of other atoms.
Python functions for reading refinement data from Jana2006
Solving structures With Alpha helical Membrane Pairs
Search for new PDB structures corresponding to a search term and deposited after a certain date.
Read, write, and manipulate diffraction images that use the MarCCD format
Calculate τ (Tau) Values (Geometry Index) for 4- and 5-coordinate complexes.
Wrapper for Precognition to simplify Laue data reduction
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