[ase-users] Help (Badly needed)

Ibrahim (Ibrahim Awad) Awad ieawad at crimson.ua.edu
Fri Feb 22 19:20:00 CET 2013


when i type ag filename.xyz, I have this message

Traceback (most recent call last):
  File "/usr/lib/python2.7/dist-packages/ase/gui/ag.py", line 125, in main
    run(opt, args)
  File "/usr/lib/python2.7/dist-packages/ase/gui/ag.py", line 88, in run
    images.read(args, string2index(opt.image_number))
  File "/usr/lib/python2.7/dist-packages/ase/gui/images.py", line 157, in
read
    i = read(filename, index,filetype)
  File "/usr/lib/python2.7/dist-packages/ase/io/__init__.py", line 87, in
read
    format = filetype(filename)
  File "/usr/lib/python2.7/dist-packages/ase/io/__init__.py", line 485, in
filetype
    fileobj = open(filename)
IOError: [Errno 2] No such file or directory: 'cntnegxay.xyz'

what's the problem?

An exception occurred!  Please report the issue to
ase-developers at listserv.fysik.dtu.dk - thanks!  Please also report this if
it was a user error, so that a better error message can be provided
next time.



On Fri, Feb 22, 2013 at 7:46 PM, Glen Jenness <glenjenness at gmail.com> wrote:

> For .xyz files you have numerous options!
>
> ase-gui (ag)
> Avagodro
> VMD
> VESTA
> XCrysDen
>
> Just to name a few :)
>
> All of the above are free and with the exception of ag all have versions
> for windows and linux.
>
>
> On Fri, Feb 22, 2013 at 11:32 AM, Ibrahim (Ibrahim Awad) Awad <
> ieawad at crimson.ua.edu> wrote:
>
>> If i have .xyz files and I want to visualize them, how can I do that?
>>
>>
>> On Fri, Feb 22, 2013 at 10:31 AM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk
>> > wrote:
>>
>>>  Hi,
>>>
>>>
>>> On 02/22/13 02:37, Ibrahim (Ibrahim Awad) Awad wrote:
>>>
>>> I'm new to Python and I've downloaded Ubunto and set up ASE. My target
>>> is download CNT inside Copper. I don't know how to start. Any help please?
>>>
>>> please check if ASE provides an interface to a suitable code on
>>> https://wiki.fysik.dtu.dk/ase/
>>> then follow a couple of ASE Tutorials:
>>> https://wiki.fysik.dtu.dk/ase/python.html
>>> https://wiki.fysik.dtu.dk/ase/tutorials/surface.html
>>> and continue with:
>>> https://wiki.fysik.dtu.dk/ase/ase/structure.html#nanotubes
>>>
>>> Best regards,
>>>
>>> Marcin
>>>
>>>
>>>
>>> _______________________________________________
>>> ase-users mailing listase-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>>
>>>
>>>
>>>
>>
>> _______________________________________________
>> ase-users mailing list
>> ase-users at listserv.fysik.dtu.dk
>> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>
>
>
>
> --
> Dr. Glen Jenness
> Schmidt Group/Morgan Group
> Department of Chemistry/Materials Science and Engineering (MSAE)
> University of Wisconsin - Madison
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
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