[Wien] Interactive crystal builder/editor

Laurence Marks L-marks at northwestern.edu
Wed May 20 21:05:51 CEST 2009


A follow up; someone who likes C might want to add Wien2k to Babel,
http://smog.com/chem/babel/

On Wed, May 20, 2009 at 11:14 AM, Laurence Marks
<L-marks at northwestern.edu> wrote:
> 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
>>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses electron
> scattering to study the structure of matter.
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.


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