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Projects in Awesome Lists tagged with shelxl

A curated list of projects in awesome lists tagged with shelxl .

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/radi0sus/tablemasterg2

TablemasterG2 generates (nice) "experimental data" tables from SHELXL generated CIFs (Crystallographic Information File). The program is written in PureBasic.

cif crystallography latex markdown papers publication purebasic rtf shelxl tables text thesis x-ray

Last synced: 05 Dec 2024