mailRe: [bug #21813] file recognition


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by Stefano Luciano Ciurli on March 19, 2014 - 13:08:
Hi Troels,

following your flowchart, I was also able to reach to the point where I need 
more than one field, so it looks good. Now I understand better some of the 
input to be given in the GUI to avoid mixing things up.
It also confirms that if used correctly, the Bruker text files from DC are 
read fine.

Thanks a lot!
Stefano

On Mar 18, 2014, at 11:32 AM, Troels E. Linnet wrote:

Follow-up Comment #1, bug #21813 (project relax):

This looks fine for me.

I created resi.ods to make a spin file resi.py

I get successful outcome if I do:

1) Start relax gui
2) New analysis
3) Select model-free
4) Create pipes with "Start"
#To create the molecule
5) User functions -> script "resi.py"
That creates the 147 spins
6) Click "Read a bruker ...."
7) ID string: "T1"
8) File name: T1.txt

And so forth.
Instead of running resi.py, the file run.py will setup the whole thing.

1) Start relax gui
2) New analysis
3) Select model-free
4) Create pipes with "Start"
# Load spins and bruker files
5) User functions -> script "run.py"



(file #20381, file #20382, file #20383)
   _______________________________________________________

Additional Item Attachment:

File name: resi.ods                       Size:18 KB
File name: run.py                         Size:0 KB
File name: resi.py                        Size:11 KB


   _______________________________________________________

Reply to this item at:

 <http://gna.org/bugs/?21813>

_______________________________________________
 Message sent via/by Gna!
 http://gna.org/





Related Messages


Powered by MHonArc, Updated Wed Mar 19 14:20:13 2014