[xcrysden] 回复： XCrySDen Digest, Vol 38, Issue 11

[李斌]

Many thanks!

--- 11年3月29日，周二, xcrysden-request at democritos.it <xcrysden-request at democritos.it> 写道：

> 发件人: xcrysden-request at democritos.it <xcrysden-request at democritos.it>
> 主题: XCrySDen Digest, Vol 38, Issue 11
> 收件人: xcrysden at democritos.it
> 日期: 2011年3月29日,周二,下午3:39
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> Today's Topics:
> 
>    1. Re: Question about Xcrysden and w2web
> of WIEN2K (Tone Kokalj)
>    2. Re: rotate cordinate by script(or
> other) to fixed amount
>       (Tone Kokalj)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Tue, 29 Mar 2011 08:38:59 +0200
> From: Tone Kokalj <tone.kokalj at ijs.si>
> Subject: Re: [xcrysden] Question about Xcrysden and w2web
> of WIEN2K
> To: XCrySDen mailing list <xcrysden at democritos.it>
> Message-ID: <1301380739.4221.6.camel at catalyst.ijs.si>
> Content-Type: text/plain; charset="UTF-8"
> 
> On Fri, 2011-03-18 at 21:21 +0800, ?? wrote:
> > Hi! all,
> > 
> >  I've installed Xcrysden and it works well using
> commandline. But the "view structure" 
> >  menu didn't appear at the w2web interface of
> WIEN2k before rebooting the server. Is
> >  there a way to link the Xcrysden to w2web
> avoiding rebooting?
> 
> I don't know precisely how the w2web works, but probably it
> checks if
> the XCRYSDEN_TOPDIR variable is defined or not. If this is
> so, I guess
> closing (exiting) the browser, defining the variable and
> launching again
> the browser from the terminal where the XCRYSDEN_TOPDIR has
> just been
> defined would be sufficient.
> 
> Another more intrusive method is to log-out and log-in.
> 
> Regards, Tone
> -- 
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
> 
> Please, if possible, avoid sending me Word or PowerPoint
> attachments.
> See:  http://www.gnu.org/philosophy/no-word-attachments.html
> 
> 
> 
> ------------------------------
> 
> Message: 2
> Date: Tue, 29 Mar 2011 08:43:16 +0200
> From: Tone Kokalj <tone.kokalj at ijs.si>
> Subject: Re: [xcrysden] rotate cordinate by script(or
> other) to fixed
>     amount
> To: xcrysden at democritos.it
> Message-ID: <1301380996.4221.10.camel at catalyst.ijs.si>
> Content-Type: text/plain; charset="UTF-8"
> 
> On Mon, 2011-03-21 at 01:47 +0530, Rudra Banerjee wrote:
> > Dear Friends,
> > I want to view and print a number of files with the
> viewport
> > (coordinate) changed. How I can rotate the xyz file in
> same amount
> > each time i open the file?
> > I cheked customs-defination(nothing there), FAQ and
> scripting
> > site....but failed to solve the problem.
> > $ xcr fcc1.xyz
> > --script
> /opt/XCrySDen-1.5.17-bin-semishared/Tcl/scripting::rotate x
> 5
> 
> xcrysden scripting commands are not supposed to be run from
> command
> line, but instead loaded (read) from the script file. 
> 
> Say, you put your rotating command into a file named
> roatate5.xcrysden,
> which could look as:
> 
> scripting::open --xyz  fcc1.xyz
> scripting::rotate x 5
> 
> Then you execute xcrysden as:
> xcrysden -s rotate5.xcrysden
> 
> 
> For more info see: http://www.xcrysden.org/doc/scripting.html
> 
> Regards, Tone
> 
> -- 
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
> 
> Please, if possible, avoid sending me Word or PowerPoint
> attachments.
> See:  http://www.gnu.org/philosophy/no-word-attachments.html
> 
> 
> 
> ------------------------------
> 
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> End of XCrySDen Digest, Vol 38, Issue 11
> ****************************************
>