SkillAgentSearch skills...

FinalCif

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

Install / Use

/learn @dkratzert/FinalCif
About this skill

Quality Score

0/100

Supported Platforms

Universal

README

Lates Release Unit Tests Contributions PyPI package <a href="https://repology.org/project/finalcif/versions"> <img src="https://repology.org/badge/vertical-allrepos/finalcif.svg" alt="Packaging status" align="right"> </a>

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

Related Skills

View on GitHub
GitHub Stars20
CategoryDevelopment
Updated7d ago
Forks4

Languages

Python

Security Score

80/100

Audited on Mar 17, 2026

No findings