Workshop '99

Research Group of Prof. Dr. Ernst Egert

Johann Wolfgang Goethe-Universität



 PATSEE is a public domain program for location of a fragment of known geometry by integrated Patterson, packing, and direct methods (Egert, E., Sheldrick, G.M.; Acta Crystallographica, A41, 262-268, 1985).
The program attempts to combine the merits of both Patterson and direct methods in order to position a fragment of known geometry in the unit cell. It is valid for all space groups in all settings.
The rotation search can find the orientation of a search model of any size and allows one torsional degree of freedom. (Searching for two independent fragments simultaneously would be very time consuming because a large number of combinations of orientations would have to be considered.) The translation search may locate up to two independent fragments of any size (including single atoms) taking into account known atoms at fixed positions, if any.
PATSEE has proved to be rather powerful for small molecule structures, and the program is now being extended to solve larger structures, e.g. small proteins and nucleic acids.


System requirements

The program runs on any 486 (or higher) IBM compatible PC with at least 4 MB memory and on VAX or SGI computers. PATSEE is available as source code or as an precompiled  executable. To compile the program a FORTRAN 77 compiler is necessary.

How to download PATSEE.

PATSEE is public domain and is available free of charge. Please click here to download PATSEE.


More information about PATSEE.

If you would like more information about any of our programs or if you have any questions please contact

    Dr. Michael Bolte
    Institut für Organische Chemie
    Universität Frankfurt
    Marie-Curie-Str. 11
    D-60439 Frankfurt
    phone: 069-798-29136
    fax: 069-798-29128



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