New GRETEP for Windows (Grenoble Thermal Ellipsoids Plot Program)

Lachlan Cranswick l.cranswick at dl.ac.uk
Thu Sep 28 03:10:08 EST 2000


The following GRETEP (Grenoble Thermal Ellipsoids Plot Program) 
for Windows has been officially released and is freely available
for download off the internet.  Example tutorials on the web and
download addresses are given below.

Gretep has been written from scratch and is part of the LMGP
Suite by Jean Laugier and Bernard Bochu.  It has easy to use
features not readily found in other equivalent programs and
is worth investigating. (e.g., can save positions of custom atom
labels for use at a later date, etc)

Some features:

   Powerful Custom atom labelling using Windows fonts - saving 
    this information into the Gretep file to be reloaded at a later date; 

   Click and drag structure rotation and translation;

   Editing of the structure, cell, spacegroup information via
    a GUI Menu.

   Can open Shelx, Powder Cell and Lazy Pulverix files; 

   Perform Mean Plane Determination; 
  
   Custom Addition and Deletion of Bonds via point and click; 
   
   Point and click edit atomic positions, cell and spacegroup; 

   Point and click enabling/disabling of symmetry operators to 
     examine effects of spacegroup symmetry 

   Click and drag structure rotation and translation; 

   Putting in a custom number of molecules, atoms and bonds - and saving this 
     information into the Gretep file to be reloaded at a later date; 

   Export fully scalable Windows Meta Files for importation into other software; 

   Change atoms from isotropic to anisotropic and visa versa; 

   Relocate the centre of rotation by clicking on a selected atom; 

   Handles organic, organometallic and inorganic/ionic structures. 

   Gretep can be passed a structure file via a command line so can be 
     spawned by other software; 

   Many other options.

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

Tutorial runthroughs on the web:

   Basic demonstration of GRETEP
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep.html

   Custom Addition and Deletion of Bonds
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep_bondadddel.html

   Powerful Custom Labelling
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep_customlabel.html

   Using GRETEP to graphically perform Mean Plane Determination
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep_meanplane.html

   Changing the Rotation Center of the Structure in Gretep
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep_rotationcenter.html

   Playing with Symmetry Operators in Gretep
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep_symm.html

   Displaying and Printing Single, Aromatic, Double and Triple Bonds in Gretep
     http://www.ccp14.ac.uk/tutorial/lmgp/gretep_dobsin_bonds.html
   (this Gretep feature still under development)

==========

GRETEP Download:

UK:        
  http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/

Canada:    
  http://ccp14.sims.nrc.ca/ccp/web-mirrors/lmgp-laugier-bochu/

Australia:  
  ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/lmgp-laugier-bochu/

(The Australian CCP14 regional mirror has been having problems due
to nuances of the firewall sitting in front of the server)

(Gretep needs MS-Windows to be running in (the normally default) 
Small Fonts Mode)

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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