You are here: Home Research / Programming FinalCif

FinalCif

Finalize CIF files — No Wizards, no pain.

 

Finalcif is mainly intended for Bruker users, but works for other CIF files too. It collects all the information from a work folder needed in order 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!

Essentially, you must have the corresponding CIF file for FinalCif in its original 'work' folder, which contains all other files such as SAINT list files, SADABS list file, SHELX list files, etc. that led to this cif file.

 

The button "save cif file" saves the current file under 'name'-finalcif.cif. FinalCif will never make Changes to the original CIF file.

 

 

The main program window:

finalcif_main.PNG

 

Complete Documentation

 

Download:   FinalCif   <-- Windows, MacOS X and Linux 64bit 

 

 

 

 

Recent changes

-v61 Changed report headlines to single-column format. Removed '_olex2_diffrn_ambient_temperature_device'
        and '_diffrn_measurement_specimen_adhesive' from essential keywords. 

-v61 Minor fixes.

-v60 Added display of cif loops and internal SHLEX file.

-v59 Bugfixes

-v58 Internal restructuring and many small bugs fixed. Deleting rows should now work in every row. Improved size of 
        larger text fields.

-v58 Fixed text field behavior.

-v57 Added possibility for a custom picture in the report.

-v56 Also rename validation response forms while renaming data_ tag.

-v55 Online Checkcif now runs in the background. Longer timeouts for online checkcif before it gives up.

-v54 Fixed missing "finalcif.exe" in windows installer.

-v53 Fixed missing combo boxes (dropdown menus). Added possibility to change the "data_" name.

-v52 Fixes some potential crashes. Added possibility to open CIF files with missing values.

-v51 Added references to the programs used in data processing. Please tell me about still missing references.

       Added deposition mail files from the CCDC (.eml files) as data source for the CSD number. Just drag&drop the

       respective mail to the work directory and reload the cif file.

-v50 Added list of data sources for automatically generated data ("Data Sources" button). Offline Checkcif adds the moiety formula now. Many small bugfixes.

-v49 Deleting a row really deletes this key/value now. Some small bug fixes.

-v48 Improved import/export of templates. Improved special CIF character translation.

-v47 Added a details page with 3D representation of the Structure ('Show Details' button). Fixed template 
       export/import.

-v46 Fixed problems with non-ascii characters in SHELX res file included in the CIF (thanks to Frank Rominger).

-v45 Fixed crash with write protected files.

-v44 Fixed crash during report generation with strange connectivities.

-v43 Added Key shortcuts for save (CTRL+S), html checkcif (CTRL+H), pdf checkcif (CTRL+P), delete row (Ctrl+DEL)

       During report text generation, a zip file containing cif file, report text and checkcif document will be written now.

        FinalCif now warns about inconsistent temperatures. Added buttons for CCDC and COD deposition (I would like to have an API for that!).

-v42 Improved report. Fixed minor bugs.

-v41 Fixed minor bugs and better handling of saint list file names.

-v40 Fixed potential crashes with windows line endings and also with long checkcif runs.

-v39 New Icon theme. Fixed crash after failed checkcif. Fixed wrong number from saint list file.

-v38 Fixed crash with missing SAINT list file. Fixed wrong file extension definition in file open dialog (esp. Linux).

-v37 Fixed wrong alert type for validation responses. Improved cif order and saint file parser.

-v36 Early support for stoe .cfx file. small fixes. The Windows version has an installer now. The installed version has 

       much quicker startup.

-v35 The written cif file is in specific order now. Please tell me if you disagree with the order.

-v34 Improved report text.

-v33 Minor report improvements.

-v32 Added a validation response form editor in order to reply to CheckCif alerts: Do a "html checkcif" and 
        click on "Edit Response Forms" to use it. Only A and B alert responses are supported. Fixed many smaller bugs.

-v31 Added vertical splitter between table and templates. Lots of internal refractoring. Improved coloring of
         the main table. FC calculates the space group information from symmetry operators if present. FC now
         shows all key/value pairs, exept for .res and .hkl file. New splash screen for checkcif.

-v30 Fixed problems in template export. Improved handling of text fields.

-v29 Fixed some crashes.

-v28 Improved template behavior. Faster checkcif without structure factors. 

 

 

 

As always, please report bugs!