Bug#999508: ITP: finalcif -- editor for Crystallographic Information Format

[Andrius Merkys <merkys@debian.org>]

Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist
Control: block -1 by 999468 996095

* Package name    : finalcif
  Version         : 91
  Upstream Author : Daniel Kratzert
* URL             : https://dkratzert.de/finalcif.html
* License         : Beerware
  Programming Lang: Python
  Description     : editor for Crystallographic Information Format

Finalcif is a full-featured CIF file editor to make editing and
validation of CIF files easy. It collects all the information from a
work folder needed in order to finalize a CIF file for publication. In
any case, you can also import a valid CIF file to complete the
information. 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 should 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.

Checking your final CIF file with the IUCr CheckCIF server is a
one-click problem in FinalCif. You get a web and PDF report or just a
local PLATON CIF check for computers without internet.

FinalCif generates beautiful CIF reports in seconds for your publication
as MS Word files (also compatible with Openoffice etc.). The report
includes tables of structure properties like R-values or atom parameters
and a report text about the experiment conditions.

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

FinalCif is a nice GUI to edit, validate and deposit CIF files. I am
planning to team-maintain it in DebiChem Team.