MS20-P01 Structurefinder Daniel Kratzert (Albert-Ludwigs-Universit├Ąt Freiburg, Inorganic Chemistry, Freiburg im Breisgau, Germany)email: daniel.kratzert@ac.uni-freiburg.de

Databases like the Cambridge Structural Database or the Crystallographic Open Database are good at collecting information from crystallographic experiments and making it searchable. But to my knowledge, there is no easy-to-use software to find and present the results of crystallographic experiments for a single workgroup.

Presented is a new computer program called StructureFinder. It creates a database of crystallographic structures on a computer and makes them searchable. The program can search for various properties: Unit cell, free text, creation date, included atom types and space group. To build the database, StructureFinder collects all computer information files (cif file format) below certain directorys on a hard disk. The containing information is stored into a SQLite database. The database can be accessed by two different interfaces. A stand-alone Qt program (figure 1) to install on a single computer or a web interface (figure 2) to be accesses by a whole work group.

StructureFinder greatly enhances the ability to find old structures in huge collections of crystallo­graphic datasets. The program can easily handle more than 10.000 structures. It can be downloaded at https://www.xs3.uni-freiburg.de/research/structurefinder.
References:

[1] https://www.xs3.uni-freiburg.de/research/structurefinder
Keywords: structure search, unit cell, cif files