[Wien] Interactive crystal builder/editor

[Oleg Rubel]

Dear Xavier,

thank you very much for the suggestion. I tried Diamond, but was not
excited by its capabilities. Eventually, I decided to use structure
editor that comes with Wien2k and control the result by viewing the
structure in XCrySDen. Thank you for you comments once again.

Regards,
Oleg

--
Oleg Rubel, PhD
Scientist
Thunder Bay Regional Research Institute
290 Munro St
Thunder Bay, ON
P7A  7T1, Canada
Phone: +1-807-7663350
Fax: +1-807-3441948
E-mail: rubelo at tbh.net
Homepage: http://www.tbrri.com/~orubel/
>>> Rocquefelte <Xavier.Rocquefelte at cnrs-imn.fr> 05/21/09 2:56 PM >>>
Dear Oleg,

In my case, I am using Diamond and/or Endeavour 
(http://www.crystalimpact.com/) which allow to built the structure and 
then save in cif format.
After I simply use cif2struct converter. These two programs are not free

but very useful (possibility to search the symetry in endeavour). 
Additionally the demo version allows to save in cif format.

You also have another interesing program able to read wien2k files, 
which is VESTA. This program is a free of charge 3D visualisation 
program with many interesting functionalities.

Regards

Xavier

Oleg Rubel a écrit :
> Thank you very much, Laurence.
>
> My feeling is that these programs are not really builders (except for
the structeditor). Regarding viewers, I am fully satisfied with
XCRYSDEN. Structeditor has no GUI.
>
> But thank you any way.
>
> Oleg
>
>
> --
> Oleg Rubel, PhD
> Scientist
> Thunder Bay Regional Research Institute
> 290 Munro St
> Thunder Bay, ON
> P7A  7T1, Canada
> Phone: +1-807-7663350
> Fax: +1-807-3441948
> E-mail: rubelo at tbh.net
> Homepage: http://www.tbrri.com/~orubel/
>   
>>>> Laurence Marks <L-marks at northwestern.edu> 05/20/09 12:14 PM >>>
>>>>         
> My 2 cents; I would be interested in others:
>
> a) Cryscon, Shape Software. Can read Wien2k struct files and does a
> good job transforming cells, output to cif. Latest version tries to
> find the symmetry, but I've rarely got it to work. Shareware,
> windows/linux/mac.
> b) The latest pre-release Jmol (11.7.36 or higher) can read struct
> files, thanks to Bob Hanson. Jmol does a lot with good graphics so you
> might be able to edit with it, not sure. Free.
> c) I frequently use cif files and edit these (very simple), using a
> viewer such as ATOMS (Shape Software). Demo version has ugly "ATOMS"
> over viewer, windows/linux/mac, very commonly used in inorganic
> chemisty.
> d) structeditor in Wien2k (never used it myself).
>
> On Wed, May 20, 2009 at 9:21 AM, Oleg Rubel <rubelo at tbh.net> wrote:
>   
>> Dear Scott,
>>
>> thank you for pointing out the converters. Can you suggest any
package, which is reasonably priced or even free?
>>
>> Thank you,
>>
>> Oleg
>>
>>     

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