Hi Justin,
> First, would it be possible to order the exported table by Resid #?
> It is ordered by the constraint #, which is pretty much useless to
> anyone who tries to curate such things by hand.
True. I'll see what I can do.
> Second, would it be possible to have more information on the
> constraints that FC cannot handle? I get a message to the screen that
> says
>
> Warning: Not handling constraint 242, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 243, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 244, item 1, resonance(s)
> Unknown,Unknown not linked
> Warning: Not handling constraint 249, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 544, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 572, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 578, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 581, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 582, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 583, item 1, resonance(s)
> Unknown not linked
> Warning: Not handling constraint 584, item 1, resonance(s)
> Unknown not linked
>
>
> I have no idea why it isn't handling these constraints properly. The
> only thing these constraints have in common is that they involve
> resonance Arg38Hda or Arg38Hdb (non-stereospecifically assigned hd of
> arg). I'm not certain what isn't known or linked with these guys.
The constraints are linked to atoms via a resonance in CCPN - these
messages mean that some of these resonances are *not* linked to any
atom, and therefore the FC can't write them out (because it can't
determine an atom name to export to the output file).
Anyway if you check the constraints with the serials listed in the
above output, then the first constraint item for each of these should
have a void link for one of its member atoms - not sure how that
shows up in Analysis though. The resonance might still have a name
(that is just a marker and is not used for export).
I'd be happy to change the output for this message - any suggestions
are welcome. It has to be relatively short though.
Bye,
Wim
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