mailRe: Difficulty with noe.py sample script


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

Header


Content

Posted by Edward d'Auvergne on October 08, 2008 - 19:19:
On Wed, Oct 8, 2008 at 7:02 PM, Tyler Reddy <TREDDY@xxxxxx> wrote:
Yes, the standard deviation of the steady-state NOEs match to 15 decimal
places
(ignoring the occasional rounding error in excel).

The svn command definitely worked, and picked up a bunch of files, but the
updated software just didn't fix the problems (1.2.14 or 1.3.1 versions).
But,
as you say, not all that important anymore since 1.2.12 is just fine for the
NOE.

Are you sure they didn't pick up the problems?  I spent quite a while
fixing this problem, and it did fix it for my data.  But if it didn't
fix it for yours then it would be very important for me to know what
happened.  I will have to halt the release of both relax-1.2.15 and
relax-1.3.2 until I can get to the bottom of this.  Maybe the relax
code you downloaded is a little old and doesn't contain the fix.  It
would be much appreciated if your could update the code to the latest
revision by typing, in the relax-1.2 directory:

$ svn up

and then quickly confirm if the bug is still present.  Make sure you
have the full path of this version of relax, so maybe
'/home/xxx/relax-1.2/relax noe.py', so that you don't accidentally use
the 1.2.14 version.

Cheers,

Edward



Related Messages


Powered by MHonArc, Updated Wed Oct 08 20:20:54 2008