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Projects in Awesome Lists by dkratzert

A curated list of projects in awesome lists by dkratzert .

https://github.com/dkratzert/structurefinder

A crystal structure finder written in PyQt5 and Python3

cif crystallography database search shelxl

Last synced: 27 Oct 2024

https://github.com/dkratzert/shelxfile

A parser and editor for SHELXL files.

atom crystallography editor molecule parser shelxl

Last synced: 27 Oct 2024

https://github.com/dkratzert/finalcif

A CIF file finalizer for small molecule crystallography with as much automation as possible.

bruker checkcif cif crystallography iucr molecules report rigaku shelxl stoe structure

Last synced: 27 Oct 2024

https://github.com/dkratzert/dsr

Refinement of disordered structures with SHELXL

crystallography database dsr fragments molecule python shelxl

Last synced: 27 Oct 2024

https://github.com/dkratzert/messlog

A measurement logging and organizing project

Last synced: 27 Oct 2024

https://github.com/dkratzert/platon_update

updates platon and check.def

Last synced: 27 Oct 2024

https://github.com/dkratzert/overflows

prints out in which Bruker frames are overflows

Last synced: 27 Oct 2024

https://github.com/dkratzert/website

Last synced: 27 Oct 2024

https://github.com/dkratzert/xp-patch

A tiny script to patch Brukers XP to handle RIGU and ABIN

Last synced: 27 Oct 2024

https://github.com/dkratzert/titrino

Last synced: 27 Oct 2024

https://github.com/dkratzert/fragmentdb

A port of DSR to Olex2

Last synced: 27 Oct 2024

https://github.com/dkratzert/plotxd

Last synced: 27 Oct 2024

https://github.com/dkratzert/updater

A minimal updater for Windows programs

Last synced: 27 Oct 2024