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
Follow-up Comment #5, bug #21813 (project relax):
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
Update of bug #21813 (project relax):
Status: Need Info = Invalid
Open/Closed:Open = Closed
___
Follow-up Comment #6:
This bug is closed,
Hi Edward,
Testing on a Mac OS X system using the relax 3.1.5 DMG file shows that the
files are correctly recognised. Maybe there was a mixup during the file
loading.
likely
Could you try to loading the data again and seeing if the problem is
still there.
it is OK now
Note that the
URL:
http://gna.org/bugs/?21813
Summary: file recognition
Project: relax
Submitted by: None
Submitted on: Tue 18 Mar 2014 09:22:33 AM UTC
Category: None
Specific analysis category: Model-free analysis
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
Follow-up Comment #2, bug #21813 (project relax):
With the attached files, I can also confirm that the data is loaded into relax
and correctly identified as R1, R2, and NOE for each file. This was on a
Linux machine though, I will try to run this on a test Mac OS X machine to see
if their is a
Follow-up Comment #3, bug #21813 (project relax):
A blast pdb search for:
MLITKIVGHIDDYESSDKKVDWLEVEWEDLNKRILRKETENGTDIAIKLENSGTLRYGDVLYESDDTLIAIRTKLEKVYVIKPQTMQEMGKMAFEIGNRHTMCIIEDDEILVRYDKTLEKLIDEVGVSYEQSERRFKEPFKYRGHQH
Gave:
Chain A, Crystal Structure Of Bacillus Pasteurii Uree At 1.7 A.
Update of bug #21813 (project relax):
Summary:file recognition = File recognition -
identification of the relaxation data type when reading Bruker DC files.
___
Reply to this item at:
http://gna.org/bugs/?21813
Update of bug #21813 (project relax):
Status:None = Need Info
Operating System:Mac OS X (Intel) = All systems
___
Follow-up Comment #4:
Testing on a Mac OS X
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