wattos failed for Alan

[GoogleCodeExporter]

python -u $CINGROOT/python/cing/PluginCode/test/test_Wattos.py
Moving CCPN directory from [linkNmrStarData] to [1brv]
==> Importing data from Ccpn project "1brv"
Non-standard (residues and their) atoms added:
GLU : O'   [ 189]
==> Molecule 1brv: Potential disulfide bridges: 2
Calculating rmsd's (ranges: None, models: 0-0)
==> Ccpn molecule '1brv' imported
==> Ccpn project imported
DEBUG: starting toNmrStarFile
==> NMR-STAR project written at
/private/tmp/cing/1brv.cing/1brv/Wattos/project.str
==> Running Wattos read for an estimated (5,000 atoms/s):   48
seconds; please wait
DEBUG: Took number of seconds:      5.1
ERROR: Failed wattos checks with exit code: 2304
F
===========================================================
===========
FAIL: testWattos (__main__.AllChecks)
----------------------------------------------------------------------
Traceback (most recent call last):
 File "/Users/alan/workspace/cingWork/python/cing/PluginCode/test/test_Wattos.py",
line 52, in testWattos
   self.assertTrue(runWattos(project))
AssertionError

----------------------------------------------------------------------
Ran 1 test in 17.264s

FAILED (failures=1)

From /tmp/cing/1brv.cing/1brv/Wattos/, see file Wattos_logs.tgz in attach.

Original issue reported on code.google.com by alanwil...@gmail.com on 6 May 2009 at 7:23

Attachments:

• Wattos_logs.tgz

[GoogleCodeExporter]

Please update to the most recent revision of CING (r577). It now calls FC 
externally.

Then also update the wattos jar from:
http://code.google.com/p/cing/source/browse/trunk/cing/java/production/WEB-INF/l
ib/Wattos.jar

I forgot to update it because on development it's only used for the iCing part 
not the backend. It's a good idea to keep it uptodate at the above 
location though.

When you start up wattos with the new jar by typing wattos you should see the 
version number:
Wattos [20090506-1156] started at: May 6, 2009 11:57:41 AM CEST

Please let me know if this fixed the bug for this entry. Then please use your 
enthusiasm with other entries and report back. It does not work 
for all yet. I know that for instance:
http://nmr.cmbi.ru.nl/eNMRworkshop//data/AS/BASPOrg/BASPOrg.cing
works but the below fails:
http://nmr.cmbi.ru.nl/eNMRworkshop//data/R3/AR3436Cheshire/AR3436Cheshire.cing

I'll keep this issue open to fix the problem with AR3436Cheshire or a 
comparable PDB entry.

Original comment by jurge...@gmail.com on 6 May 2009 at 10:10

• Changed state: Started
• Added labels: Type-Defect, Entry-1brv, Priority-Medium, Component-Wattos, Usability

[GoogleCodeExporter]

I think it's working now, but tell me first if the figure I got for 
completeness of 1brv is correct. See the attach.

Original comment by alanwil...@gmail.com on 6 May 2009 at 8:23

Attachments:

• 1brv_01_completeness.pdf

[GoogleCodeExporter]

Nop, compare to attached png and logs in the zip.

Original comment by jurge...@gmail.com on 7 May 2009 at 8:20

Attachments:

• 1brv_01_completeness.png
• Wattos.zip

[GoogleCodeExporter]

It's working now with project.runWattos() in doValidate.py

Original comment by alanwil...@gmail.com on 7 May 2009 at 10:28

[GoogleCodeExporter]

Cool, I'll commit my mods for it later.

Original comment by jurge...@gmail.com on 7 May 2009 at 10:47

• Changed state: Fixed

[GoogleCodeExporter]

I'll need this for iCing as well.

Original comment by jurge...@gmail.com on 13 May 2009 at 6:44

• Changed state: Started

[GoogleCodeExporter]

Implemented; needs commit; update; test cycle on nmr.

Original comment by jurge...@gmail.com on 27 May 2009 at 10:19

[GoogleCodeExporter]

Committed to r580.
Updated & tested iCing fine.

Original comment by jurge...@gmail.com on 27 May 2009 at 10:55

• Changed state: Fixed