Sir2000 Structure Solution Software: Request for collaboration/Datasets/difficult structures

Lachlan Cranswick l.cranswick at dl.ac.uk
Wed Mar 29 03:23:05 EST 2000


Posted on behalf of the Sirware team - authors of Sirpow, EXPO, Extra
Sir92, Sir97, Sir99 and the upcoming Sir2000 structure solution 
software.

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"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. The program will be probably be available after the
Nancy ECM meeting.  In the mean time the team is quite open to any
collaboration for the solution of difficult crystal structures. Please
contact any one of the authors .

--

|    CARMELO GIACOVAZZO
| ISTITUTO DI RICERCA PER LO SVILUPPO DI METODOLOGIE CRISTALLOGRAFICHE
|
| E-mail : c.giacovazzo at area.ba.cnr.it
| Phone: 39 80 /5442624 /5442590
| FAX  : 39 80 /5442591
| Address: c/o Dipartimento Geomineralogico
| Campus Universitario - 70125 Bari - ITALY"


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Based on a summary table submitted for publication, the 
present range of solved structures with the alpha-test 
version of Sir2000 range from:

    "202 atoms"    to    "1,910 atoms (with 374 waters)"

----

Lachlan.

====================
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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