From trambui1985 at gmail.com  Thu Dec  6 18:02:44 2012
From: trambui1985 at gmail.com (Tram Bui)
Date: Thu, 6 Dec 2012 10:02:44 -0700
Subject: [xcrysden] question on extracting the atomic positions from Xcrysden
Message-ID: <CAGNw4nYBHpSdGEZH5fC7jzHG-Vs8rhdfef+iXZAEkRcLGnHcdw@mail.gmail.com>

Dear Xcrysden Users,
   I'm a "very light" user who has really limitted experience with
xcrysden. Would you please give me some detail information on how to
extract all atomic positions from a crystal structure and  export it into a
file or some sort which can be save or copy all at once?

Regards,
Tram Bui
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From emoujaes at fisica.ufmg.br  Thu Dec  6 21:43:16 2012
From: emoujaes at fisica.ufmg.br (Elie Albert Moujaes)
Date: Thu, 6 Dec 2012 17:43:16 -0300
Subject: [xcrysden] Problems with Xming/Cygwin
Message-ID: <20121206203955.M75737@proto.fisica.ufmg.br>

Dear all,

I am trying to execute xcrysden on cygwin; the version I have is the latest I 
guess (xcrysden-1.5.53-bin-cygwin). Whenever I typw ./xcrysden, the window opens 
then suddenly crashes with the famous error "Xming has stopped working". I have 
uninstalled and installed Xming again but in vain. Any solution to this problem? 
xclock anx xterm for example work perfectly fine.

Thanks

Elie

--
Departamento de Fisica - UFMG/ICEx

From ngangbam.singh5 at gmail.com  Fri Dec  7 06:19:16 2012
From: ngangbam.singh5 at gmail.com (beda singh)
Date: Fri, 7 Dec 2012 10:49:16 +0530
Subject: [xcrysden] question on extracting the atomic positions from
	Xcrysden
In-Reply-To: <CAGNw4nYBHpSdGEZH5fC7jzHG-Vs8rhdfef+iXZAEkRcLGnHcdw@mail.gmail.com>
References: <CAGNw4nYBHpSdGEZH5fC7jzHG-Vs8rhdfef+iXZAEkRcLGnHcdw@mail.gmail.com>
Message-ID: <CAA-YW_SVGpgfA5W7RkU=pL+8amfjceEcGCUXkXzvijM9Q=iw8Q@mail.gmail.com>

By opening the structure in xcrysden window, you will find file menu on the
top left. By clicking on it, an option for "save current state and
structure" will appear. you can save the positions in any directory and see
the atomic positions.

On Thu, Dec 6, 2012 at 10:32 PM, Tram Bui <trambui1985 at gmail.com> wrote:

> Dear Xcrysden Users,
>    I'm a "very light" user who has really limitted experience with
> xcrysden. Would you please give me some detail information on how to
> extract all atomic positions from a crystal structure and  export it into a
> file or some sort which can be save or copy all at once?
>
> Regards,
> Tram Bui
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
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From correlation at tut.by  Tue Dec 11 03:52:14 2012
From: correlation at tut.by (C)
Date: Mon, 10 Dec 2012 21:52:14 -0500
Subject: [xcrysden] printing error
Message-ID: <50C69FDE.5020902@tut.by>

Hello,
I am using Xcrysden 1.5.53 Cygwin binary package

I can open and see structures, but when I try to File-Print Crystal - 
PNG format
program closes and I see the error in terminal

/bin/xcrysden-1.5.53-bin-cygwin/xcrysden: line 233:  7676 
Aborted                 (core dumped) ${XCRYSDEN_XCRYS_DIR}/xcrys 
${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR 
$XCRYSDEN_SCRATCH "$@" > /dev/null


what should I do to correct this?

_______
Sergey



From tone.kokalj at ijs.si  Mon Dec 17 12:53:45 2012
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 17 Dec 2012 12:53:45 +0100
Subject: [xcrysden] printing error
In-Reply-To: <50C69FDE.5020902@tut.by>
References: <50C69FDE.5020902@tut.by>
Message-ID: <1355745225.29044.3.camel@catalyst.ijs.si>

On Mon, 2012-12-10 at 21:52 -0500, C wrote:
> Hello,
> I am using Xcrysden 1.5.53 Cygwin binary package
> 
> I can open and see structures, but when I try to File-Print Crystal - 
> PNG format
> program closes and I see the error in terminal
> 
> /bin/xcrysden-1.5.53-bin-cygwin/xcrysden: line 233:  7676 
> Aborted                 (core dumped) ${XCRYSDEN_XCRYS_DIR}/xcrys 
> ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR 
> $XCRYSDEN_SCRATCH "$@" > /dev/null
> 
> 
> what should I do to correct this?

It's difficult to say on the basis of this why it crashes.
If you have the "gdb" debugger installed (otherwise install the gdb
cygwin package) you may try to run as: "xcrysden -d" and when xcrysden
crashes, say "where" in the gdb prompt. 

Regards,
-- 
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


From tone.kokalj at ijs.si  Mon Dec 17 13:00:37 2012
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 17 Dec 2012 13:00:37 +0100
Subject: [xcrysden] Problems with Xming/Cygwin
In-Reply-To: <20121206203955.M75737@proto.fisica.ufmg.br>
References: <20121206203955.M75737@proto.fisica.ufmg.br>
Message-ID: <1355745637.29044.9.camel@catalyst.ijs.si>

On Thu, 2012-12-06 at 17:43 -0300, Elie Albert Moujaes wrote:
> Dear all,
> 
> I am trying to execute xcrysden on cygwin; the version I have is the latest I 
> guess (xcrysden-1.5.53-bin-cygwin). Whenever I typw ./xcrysden, the window opens 
> then suddenly crashes with the famous error "Xming has stopped working". 

Don't really know what Xming is (ok, it says it is X Window Server for
Windows). You may consider to use cygwin's X server instead and see if
it works.

Regards,
-- 
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


From tone.kokalj at ijs.si  Mon Dec 17 13:03:41 2012
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 17 Dec 2012 13:03:41 +0100
Subject: [xcrysden] question on extracting the atomic positions from
 Xcrysden
In-Reply-To: <CAGNw4nYBHpSdGEZH5fC7jzHG-Vs8rhdfef+iXZAEkRcLGnHcdw@mail.gmail.com>
References: <CAGNw4nYBHpSdGEZH5fC7jzHG-Vs8rhdfef+iXZAEkRcLGnHcdw@mail.gmail.com>
Message-ID: <1355745821.29044.12.camel@catalyst.ijs.si>

On Thu, 2012-12-06 at 10:02 -0700, Tram Bui wrote:
> Dear Xcrysden Users,
>    I'm a "very light" user who has really limitted experience with
> xcrysden. Would you please give me some detail information on how to
> extract all atomic positions from a crystal structure 

Perhaps the easiest way is to save it as XSF file (File-->Save XSF
Structure). Now the atoms (in Cartesian Angstrom units) within the
unitcell will be present under PRIMCOORD section, whereas all the
"currently" displayed atoms will be listed under "ATOMS" section. For
further details consult http://www.xcrysden.org/doc/XSF.html

Regards,
-- 
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


From edulsa at quimica.ufpr.br  Tue Dec 18 20:05:12 2012
From: edulsa at quimica.ufpr.br (Eduardo)
Date: Tue, 18 Dec 2012 17:05:12 -0200
Subject: [xcrysden] Trying to compile xcrysden in FreeBSD/amd64 plataform
Message-ID: <50D0BE68.3090109@quimica.ufpr.br>

Dear Users and Developers

Thanks for provide us a free code, with a good quality, and support to it.

I am trying to compile xcrysden under FreeBSD/amd64/8.3-RELEASE, but I 
couldn't get sucess on in until now. Please, is there anyone with 
experience in this? If the answer is yes, I will expose this problem 
with in details.

My best wishes

Eduardo

-- 
Eduardo Lemos de Sa
Associated Professor at Chemistry Department
Universidade Federal do Parana
Dep. Quimica, P. Box 19081, 81531-990 Curitiba PR / Brazil
phone: +55(41)33613300
fax  : +55(41)33613186
Voip Number: call to (41) 33613600 (listen to the message and
type 10531185)


From tone.kokalj at ijs.si  Fri Dec 21 22:04:09 2012
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Fri, 21 Dec 2012 22:04:09 +0100
Subject: [xcrysden] Trying to compile xcrysden in FreeBSD/amd64 plataform
In-Reply-To: <50D0BE68.3090109@quimica.ufpr.br>
References: <50D0BE68.3090109@quimica.ufpr.br>
Message-ID: <1356123849.4314.1.camel@catalyst.ijs.si>

On Tue, 2012-12-18 at 17:05 -0200, Eduardo wrote:
> Dear Users and Developers
> 
> Thanks for provide us a free code, with a good quality, and support to it.
> 
> I am trying to compile xcrysden under FreeBSD/amd64/8.3-RELEASE, but I 
> couldn't get sucess on in until now. Please, is there anyone with 
> experience in this? If the answer is yes, I will expose this problem 
> with in details.

I guess that with so little info nobody will be able to help.
Perhaps the problem is generic and not linked directly to FreeBSD?

Regards,
-- 
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