[sdpd] RIET: New Olex software by Oleg Dolomanov for topological analysis and visualisation of extended structures

["L. Cranswick" <l.m.d.cranswick...@dl.ac.uk>]

OLEX is new software for MS-Windows by Oleg Dolomanov (of Nottingham
University, England) for visualisation and topological analysis of the
extended structures. The user can also measure bond lengths, interatomic
distances, angles between bonds and planes; create centroids and more. 

One of the main features of the software is the construction of
topological networks and evaluation of topological (vertex) symbols for
a given node. The topological analysis is usually performed to analyse
the connectivity of a given extended structure and allows its
classification and comparison with the others. The possibility to
analyse interpenetrating networks and networks partially or fully
constructed of hydrogen bonds and previously mentioned features make
OLEX a useful tool for structure analysis. 

Oleg's homepage is at:

  http://www.ccp14.ac.uk/ccp/web-mirrors/lcells/

The OLEX main page is at:

  http://www.ccp14.ac.uk/ccp/web-mirrors/lcells/olex_index.htm

Reference is:

OLEX: new software for visualization and analysis of extended crystal
structures, Dolomanov O. V, Blake A. J., Champness N. R. and Schroder, M.
(2003). J. Appl. Cryst., 36, 1283-1284. 

-----------------

Pages on Molecular Containers and 3D Networks make use of a custom
MolDraw Java Applet. This allows for General View, Topological
Representation, pi-pi Interactions and other options.

(The default Java plugins for Netscape and Internet explorer can be a
bit flakey on MS-Windows. So you may have to install the Sun Java plugin
to get this to work. A link is given on the Applet page)

-----------

OLEX is also available from the CCP14 regional mirrors:

 http://ccp14.sims.nrc.ca/ccp/web-mirrors/lcells/
 http://ccp14.semo.edu/ccp/web-mirrors/lcells/
 http://ccp14.minerals.csiro.au/ccp/web-mirrors/lcells/

Lachlan.


-- 
-----------------------
Lachlan M. D. Cranswick
Neutron Program for Materials Research (NPMR),
National Research Council (NRC),
  Postal Address:
    NPMR, NRC,
    Building 459, Station 18,
    Chalk River Laboratories,
    Chalk River, Ontario,
    Canada, K0J 1J0                  Fax: (613) 584-4040
Tel (work): (613) 584-8811  Office:  ext 3719 ; C2 diff: ext 3039
Email: lachlan.cranswick...@nrc.gc.ca   WWW: http://neutron.nrc.ca/
Tel (home): (613) 584-4226           WWW: http://lachlan.bluehaze.com.au/
Home Email:  lachlan...@melbpc.org.au  Mobile/Cell phone: 613 401 3433
             P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0

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