failed to export coordinates from CCPN project to NMR-STAR

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What steps will reproduce the problem?
1. Download and unzip the attached ccpn project: AR3436Piscataway
It's also currently at: 
http://nmr.cmbi.ru.nl/eNMRworkshop/data/R3/AR3436Piscataway/

2. Download the script:
http://code.google.com/p/cing/source/browse/trunk/cing/python/cing/Scripts/FC/co
nvertCcp
n2Nmrstar.py?r=572
Unfortunately, it does assume a CING install but if that's a problem let me 
know and I'll tear it 
out of context.

3. Run the script as:
python convertCcpn2Nmrstar.py AR3436Piscataway . out.str

What is the expected output? What do you see instead?
The out.str fails to contain the coordinates right? The CING CCPN importer was 
able to pick up 
coordinates shown here:
http://nmr.cmbi.ru.nl/eNMRworkshop/data/R3/AR3436Piscataway/AR3436Piscataway.cin
g

I have separated this functionality out to a separate script because CING lost 
control over the 
verbosity of the messages. A pity because the current setup requires an extra 
parse of the CCPN 
project files.

Original issue reported on code.google.com by jurge...@gmail.com on 29 Apr 2009 at 7:55

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Wim, send a fix by email which works for tested entry. Thanks Wim!

Original comment by jurge...@gmail.com on 1 May 2009 at 9:45

• Changed state: Fixed

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Dang, this fails for yet another eNMR entry.
http://nmr.cmbi.ru.nl/eNMRworkshop//data/pR/VpR247Seattle/VpR247Seattle.cing

met FC log:

http://nmr.cmbi.ru.nl/eNMRworkshop//data/pR/VpR247Seattle/VpR247Seattle.cing/VpR
247Org/Wattos/project_convertCcpn2Nmrstar.log

It's the orginal entry with the following mods from FC:
- Added PseudoPdb ensemble
- Removed original ensemble

Should I have reran the linker?

It then goes into the script mentioned above:
http://code.google.com/p/cing/source/browse/trunk/cing/python/cing/Scripts/FC/co
nvertCcpn2Nmrstar.py?r=572
and fails to write a coordinate section in the NMR-STAR again just like above.

Thanks!

Original comment by jurge...@gmail.com on 20 May 2009 at 3:55

• Changed state: Started
• Added labels: Component-eNMR, Entry-VpR247Seattle

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I just checked and this is still an issue.

Original comment by jurge...@gmail.com on 27 May 2009 at 11:06

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I think the problem here (and before) was that the structures have to 'belong' 
to the
same 'StructureGeneration' object as the restraints... so you have to take care 
that
you connect the structures to the existing StructureGeneration when you import 
them.

Original comment by wfvran...@gmail.com on 2 Jul 2009 at 10:39

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Fixed in r622 using Wim's documentation at:
http://www.ccpn.ac.uk/ccpn/developers/information-tutorials-and-testing/ccpn_int
roduction5.pdf/view
as a guideline on how to add a StructureGeneration object if one isn't present 
already.

Original comment by jurge...@gmail.com on 16 Jul 2009 at 11:51

• Changed state: Fixed