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CING fails to maintain distance restraint lists in which all DRs are unassigned #224

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
This issue is in response to Wim V.'s question on it.

It is indeed the case that CING fails to maintain such lists.

I've looked at the private example file and attach an image of the first 
restraints in the first list as 
analyzed by Analysis. It shows the first restraint is assigned to resonances 
but not to particular 
atoms.

Of course it would be nicer if CING maintained the list anyway but it doesn't 
seem to useful for 
current application of CING, would you agree?

Original issue reported on code.google.com by jurge...@gmail.com on 11 Feb 2010 at 10:50

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 11 Feb 2010 at 10:51

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GoogleCodeExporter commented 9 years ago 
Ah clearly I missed that the resonances were not assigned. This might happen 
anyway
(especially if people import their data into CCPN projects), so it might be 
good to
list the distance restraint list and note that the information in there is not
assigned to atoms? There should also be warnings for this on the CCPN side by 
the way!

Original comment by wfvran...@gmail.com on 11 Feb 2010 at 11:08

GoogleCodeExporter commented 9 years ago 
Absolutely agreed. Thanks for noting.

Original comment by jurge...@gmail.com on 11 Feb 2010 at 12:34

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 14 Apr 2010 at 3:37