Re: Data files

2016-06-01 Thread Edward d'Auvergne
Hi Rakesh,

As Troels mentioned, the test suite directories contain a huge number
of examples.  A good one is the OMP data from Gitti et al. (2005), in
test_suite/shared_data/model_free/OMP (see my PhD thesis at
https://minerva-access.unimelb.edu.au/handle/11343/39174 ).
Alternatively, you could download data from the BMRB.  You can then
follow the tutorials for model-free analyses from the relax manual:

The new protocol in the prompt/script UI mode - (
http://www.nmr-relax.com/manual/The_new_protocol_in_the_prompt_script_UI_mode.html
)
The new protocol in the GUI - (
http://www.nmr-relax.com/manual/The_new_protocol_in_the_GUI.html )

You will have to play around with the starting steps, as setting up
spin systems can take two major routes - from a PDB file (with atomic
coordinates), or from a text file containing your primary sequence (no
positional information, but loading the positions from a PDB file
later).  I hope this helps.

Regards,

Edward



On 29 May 2016 at 21:12, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote:
> Hi Rakes.
>
> Look in the test_suite folder.
>
> Hundreds of unit and system test is provided there.
>
> Best
> Troels
>
> 2016-05-27 14:21 GMT+02:00 Rakesh Sharma <rakeshrocky.phys...@gmail.com>:
>
>> Hi everyone,
>> can anybody have idea that from where to get data files used in relax
>> manual calculations. I am new to relax and learning it. I get structure
>> file from protein data bank for molecule used in relax and learned up to
>> spin loading. Now for further analysis i need sparky list files for T1, T2
>> and Noe. Does anybody has idea that from where i can get these and  process
>> with same as in manual.
>> Regards,
>> Rakesh Sharma
>>
>> <
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Re: Data files

2016-05-29 Thread Troels Emtekær Linnet
Hi Rakes.

Look in the test_suite folder.

Hundreds of unit and system test is provided there.

Best
Troels

2016-05-27 14:21 GMT+02:00 Rakesh Sharma <rakeshrocky.phys...@gmail.com>:

> Hi everyone,
> can anybody have idea that from where to get data files used in relax
> manual calculations. I am new to relax and learning it. I get structure
> file from protein data bank for molecule used in relax and learned up to
> spin loading. Now for further analysis i need sparky list files for T1, T2
> and Noe. Does anybody has idea that from where i can get these and  process
> with same as in manual.
> Regards,
> Rakesh Sharma
>
> <
> https://www.avast.com/sig-email?utm_medium=email_source=link_campaign=sig-email_content=webmail
> >
> Virus-free.
> www.avast.com
> <
> https://www.avast.com/sig-email?utm_medium=email_source=link_campaign=sig-email_content=webmail
> >
> <#DDB4FAA8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
> ___
> relax (http://www.nmr-relax.com)
>
> This is the relax-users mailing list
> relax-users@gna.org
>
> To unsubscribe from this list, get a password
> reminder, or change your subscription options,
> visit the list information page at
> https://mail.gna.org/listinfo/relax-users
>
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