Skip to content

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

License

Notifications You must be signed in to change notification settings

dkratzert/FinalCif

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Lates Release Unit Tests Contributions PyPI package Packaging status

FinalCif

FinalCif helps you to get a complete CIF file from a single-xrystal X-ray diffraction experiment. See here https://dkratzert.de/finalcif.html for details.

For tables from multiple CIF files, you may want to use the program multitable.

Report templates

You only need them if you want to make report tables that differ from the default ones.

Recent Changes

See last changes in FinalCif

Some screenshots

(click to enlarge) FinalCif main Window

FinalCif details

FinalCif report

FinalCif CheckCIF

FinalCif responses

FinalCif responses