Package: wnpp Owner: Andrius Merkys <mer...@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.