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FinalCif

Finalize CIF files without hassle.

Finalcif is made for Bruker users. It collects all the information from a work folder needed in oder to finalize a CIF file for publication. In ideal cases, it takes one click to have a publication-ready file. But check the file thoroughly afterwards, no software is perfect!

The main table has three columns. The most left contains the information from the .cif file. Data from other sources like the .p4p file is displayed in the middle column and user information can be put into the third column. The data inserted by the user always rules out the other information. The two different templates on the left can be used to fill in autor information or machine models (top) as well as to create dropdown menues for specific .cif keywords (bottom).

Additionally, the .cif keywords with a question mark come first and last all others.

The "checkcif" button tries to do a local executed checkcif with PLATON on the final file.

The button "save cif file" saves the current file under "name"-finalcif.cif

 

The templates may change from time to time. To see the current version you have to delete the predefined template (edit template-->delete).

 

Installation

FinalCif needs no installation. Just download the executable anywhere on you computer. 

 

finalcif_main.PNG

 

Download:   FinalCif.exe   <- runs on Windows 64bit only

For other platforms, you can use the code from Github and do "pip install requirements.txt".

(The gemmi cif parser needs MSVC++ 14 in order to compile in Windows)

 

Recent changes

-v18 Fixed hang with slow internet connections.

-v17 Added online CheckCif. 

-v16 Added import/export of properties. Added option for no H bonds in report tables.

-v15 Added import/export of templates.

-v14 Fixed 293 K problem with no p4p file.

-v13 Fixed same t-min t-max problem. Better report file name. 

-v12 Added possibility to add new CIF keywords through templates. Machine templates updated (delete them in order
        to see the updates).

-v11 Added report text to tables.docx (behind "Make Tables" button).

-v10 Fixed error with filenames containing umlauts.

-v9 Much faster tables. Finalcif does not change the original cif anymore. Support for .cif_od files added.

-v8 New cif keywords now go to the start of the cif file and not to the end.

-v7 "Make Tables" used the wrong cif file. added some more details to the tables.

-v6 "Make Tables" now generates tables similar to xcif/ciftab. The table content might still change a bit in future versions.

-v5 Made report tables work again. Fixed quoting for text items in cif output. Fixed reading of .abs files for twins.

 

As always, please report bugs!