Pinned Repositories
CellOpt
a program for refining the unit cell against known interatomic distances.
dkratzert.github.io
DSR
Refinement of disordered structures with SHELXL
elsie
Python framework for making slides
FinalCif
A CIF file finalizer for small molecule crystallography with as much automation as possible.
FragmentDB
A port of DSR to Olex2
messlog
A measurement logging and organizing project
multitable
ShelXFile
A parser and editor for SHELXL files.
StructureFinder
A crystal structure finder written in PyQt5 and Python3
dkratzert's Repositories
dkratzert/FinalCif
A CIF file finalizer for small molecule crystallography with as much automation as possible.
dkratzert/StructureFinder
A crystal structure finder written in PyQt5 and Python3
dkratzert/ShelXFile
A parser and editor for SHELXL files.
dkratzert/DSR
Refinement of disordered structures with SHELXL
dkratzert/messlog
A measurement logging and organizing project
dkratzert/Iterative-Closest-Point
Implementation of the iterative closest point algorithm. A point cloud is transformed such that it best matches a reference point cloud.
dkratzert/multitable
dkratzert/CellOpt
a program for refining the unit cell against known interatomic distances.
dkratzert/dkratzert.github.io
dkratzert/elsie
Python framework for making slides
dkratzert/FragmentDB
A port of DSR to Olex2
dkratzert/imolecule
An embeddable webGL molecule viewer and file format converter.
dkratzert/Mieres-2018
dkratzert/overflows
prints out in which Bruker frames are overflows
dkratzert/platon_update
updates platon and check.def
dkratzert/plotxd
dkratzert/R_complete
A grahpical user interface for computing R_complete with SHELXL.
dkratzert/scale_factors
dkratzert/sliderepl
Imported from https://bitbucket.org/zzzeek/sliderepl
dkratzert/sqlacodegen
Automatic model code generator for SQLAlchemy
dkratzert/Titrino
dkratzert/Updater
A minimal updater for Windows programs
dkratzert/VideosSampleCode
Code from the mCoding sample videos
dkratzert/vtk-python-examples
A collection of VTK examples in Python
dkratzert/website
dkratzert/xp-patch
A tiny script to patch Brukers XP to handle RIGU and ABIN