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SinCris SHELXL93
Structure Refinement Program 

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The new structure refinement program SHELXL-93 is now available. It is being distributed ONLY on MSDOS diskettes, which contain PC executables, sources for VAX/VMS and UNIX, instructions and test data, together with the supplementary programs PDBINS and CIFTAB, in self-extracting compressed form. It is available free for academic use (donations are however not refused) and for a modest fee (and three months free trial) to 'for-profit' institutions. If you wish to receive the program please fill out and sign the form below and send it to me by post or fax (not email). The program contains extensive new features for small-molecule refinement (especially for handling twinning, disorder and generation of CIF output files for direct publication and archiving) and has also been used already to refine about a dozen proteins. It is slower than existing protein programs because the FFT approximation is not used in calculating structure factors, but the treatment of anomalous dispersion, hydrogen atoms and restraints on anisotropic displacement parameters makes it suitable for high-resolution refinement.

If you were a gamma-tester of SHELXL, you should still ask for the final version because it contains about 50 bug-fixes and improvements !

The corresponding current structure solution program is still SHELXS-86 ! If you still wish to receive SHELXS-86 (which has not been changed since 1986) please tick the appropriate box on the form.

Neither SHELXL not SHELXS include graphics; a comprehensive structure determination package incorporating SHELXS, SHELXL and extensive interactive graphics is available from Siemens Analytical X-ray Instruments, Madison WI 53719, USA (Fax: +1-608-276-3006) or Siemens AG, D-76187 Karlsruhe 21, Germany (Fax: +49-721-595-4506).

George Sheldrick



SHELXL-93 USER REGISTRATION FORM            | Do not write here !
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Title/Name:                                 | Version:
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Full postal address:                        EMAIL address:



                                            Tel:

                                            Fax:
Please tick ALL relevant boxes, sign and return to: Prof. George Sheldrick, Institut fuer Anorg. Chemie, Tammannstrasse 4, D-37077 Goettingen, Germany. Fax: +49-551-393373; Email: gsheldr @ shelx.uni-ac.gwdg.de

SHELXL-93 is supplied ONLY on MSDOS format diskettes, in the form of self- extracting packed files containing MSDOS executables and sources for UNIX and VMS systems, documentation and test data. The programs PDBINS (PDB to SHELXL format conversion) and CIFTAB (tables from SHELXL CIF output) are included. The license fee of DM 4999 for for-profit institutions covers use for an unlimited time on an unlimited number of computers at a specified firm or institution at a single geographical site. SHELXL-93 is currently available free of charge to academics for non-commercial use only; it may prove necessary to change this policy if the license fees for for-profit institutions fail to cover the total costs involved. Academic institutions willing and able to contribute to the costs of developing and distributing the SHELX programs are of course welcome to do so (we suggest DM 99). Please make out checks to "Institut fuer Anorg. Chemie, Prof. Sheldrick". If you wish to pay by direct bank transfer please ask us to send an invoice.

[ ] I wish to license SHELXL-93 for use at the following for-profit firm or institution. I agree that within three months I will either destroy all copies of the program in my possession or pay the license fee of DM 4999.

[ ] The program will be used exclusively for non-commercial purposes at the following not-for-profit institution only:

[ ] Please send me an invoice for DM

[ ] Please send me a receipt for the enclosed payment of DM

[ ] I agree to cite SHELXL-93 in all publications reporting results obtained using it.

[ ] I accept that the author has no liabilities in respect of errors in the programs and documentation.

Please supply SHELXL-93 on [ ] 1.44 MB, [ ] 1.2 MB, [ ] either 1.2 or 1.44 MB MSDOS diskettes. [ ] I already possess a copy of SHELXL-93.

Signed:

Date:

Please send your comments and your suggestions to Yves Epelboin, epelboin@lmcp.jussieu.fr .


Last update Sept. 18/09/1995 Y.E.
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