Sir2000: renewed invitation to submit difficult structures

Lachlan Cranswick l.cranswick at dl.ac.uk
Wed Oct 25 19:30:08 EST 2000


Posted on behalf of the Sirware group:

Octobter 25th 2000:  Renewed invitation from the Sirware Group
to submit unsolved data/difficult structures you may have
accumulated (up to and greater than 2000 atoms in the
asymmetric unit)

As per the last edition of this post in March 2000 - all the
difficult datasets submitted to the Sirware group for
testing of Sir2000 were solved.  To make Sir2000 as
robust as possible before its release - more test single
crystal datasets are requested.

(consider sending in your favourite solved and unsolved structures)

  "The Italian research team working to the development of direct
  methods for structure solution ( M.C. Burla, M. Camalli, B. Carrozzini,
  G. Cascarano, C. Giacovazzo, G. Polidori, R. Spagna ) has settled a
  new program, SIR2000, which is the heir of SIR99 ( Acta Cryst, A55,
  991-999, 1999.). While SIR99 was able to solve structures ab initio up
  to 600 atoms in the asymmetric unit, SIR2000 is able to solve
  structures up to 2000 atoms in the asymmetric unit provided the
  resolution is not less than 1.2 A resolution.

Contact Carmelo Giacavazzo
  Phone: 39 80 /5442624 /5442590
  FAX : 39 80 /5442591
  Address: c/o Dipartimento Geomineralogico
  Campus Universitario - 70125 Bari - ITALY

  (E-mail : c.giacovazzo at area.ba.cnr.it)

       Sirware Homapage:
       http://www.ba.cnr.it/IRMEC/SirWare_main.html

       CCP14 UK Mirror
       http://www.ccp14.ac.uk/ccp/web-mirrors/sirware/IRMEC/SirWare_main.html

  Present range of solved structures with the alpha-test version of
  Sir2000 range from: "202 non-H atoms" to "1,910 non-H atoms (with
  374 waters)"



==========
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick at dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk








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