[xcrysden] scripting: auto save in xsf format

[Rong Yu]

Dear Tone,

Here is a good reason for automating xsf file saving:
With the function, we can transform a lot of structure files of other
formats, say wien_struct, to the xsf format using the following script:
--
scripting:open --wien_struct name_i.struct
scripting:save --xsf name_i.xsf
--
where name_i can be any filename using shell script.

Thanks a lot,

Rong

> -----Original Message-----
> From: xcrysden-bounces at democritos.it 
> [mailto:xcrysden-bounces at democritos.it] On Behalf Of Tone Kokalj
> Sent: Friday, March 13, 2009 4:17 PM
> To: XCrySDen mailing list
> Subject: Re: [xcrysden] scripting: auto save in xsf format
> 
> On Wed, 2009-03-11 at 10:15 +0800, Rong Yu wrote:
> > Dear All,
> > 
> > It's convenient to open structure files automatically using 
> scripting 
> > (scripting::open).
> > Wondering if we can also save the files in the .xsf format 
> > automatically, like "scripting::save"...
> 
> I don't see what whout be the use of it, because if you have 
> a script you have everything.
> 
> However, if you would still like to save it, you can do by:
> 
> SaveStruct
> 
> (xcrysden will then ask interactively for the name of the file).
> 
> If you give me a good reason for automating xsf file saving, 
> I will make a "scripting:saveXSF fileName" routine.
> 
> Regards, Tone
> 
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