google-code-export / nmrrestrntsgrid

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Missing atoms in CCPN xml files #243

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
I'm having troubles with recently changed files from:
tang:/grunt/raid/docr/ccpn_tmp/data/recoord/*/*.tgz
jd:nmr/recoordSync/ find . -name "*.tgz" -mtime -1
./1brv/1brv.tgz
./1tut/1tut.tgz
./2kdi/2kdi.tgz
./2ke8/2ke8.tgz
./2kht/2kht.tgz
./2koh/2koh.tgz
./2kqt/2kqt.tgz
./2kt7/2kt7.tgz
./2otk/2otk.tgz

When I do a load of e.g. 1brv to cing:
cing --initCcpn linkNmrStarData -n linkNmrStarData --nosave --ipython -v 9
there are no coordinates for example for the first CYS:
CING 8> m.A.CYSS186.CA.coordinates
Out[8]: NTlist()

The output shows an empty list.
I've checked the same file in Analysis and it also shows absent atom 
coordinates.
Luckily the ones in NRG from the DBFS seem to be fine. 

Chris can we Skype on this today? It's critical to NRG-CING. Is it 
related/blocked on issue 236?

Original issue reported on code.google.com by jurge...@gmail.com on 10 Feb 2010 at 1:33

GoogleCodeExporter commented 9 years ago
Yes, we can skype in a bit. I'm running the test you sent me and need a moment 
to get my head back on this. 
Check 2koh_linked.str. I was going to bring that up today. 

Original comment by schulte....@gmail.com on 10 Feb 2010 at 2:36

GoogleCodeExporter commented 9 years ago
I see the 1brv now contains coordinates again. Issue 236 is no longer blocking 
this.
I'm rerunning the xmls thru cing.

Original comment by jurge...@gmail.com on 12 Feb 2010 at 9:50

GoogleCodeExporter commented 9 years ago
Entry 1tut came thru fine already so I think it's safe to close here.

Original comment by jurge...@gmail.com on 12 Feb 2010 at 9:57