Hi Huw,
Thanks for sending me your CCPN project XML files. I just tried reading
them in with the FormatConverter and writing out the BMRB chemical shift
deposition file...
> It's the Write BMRB chem shift deposition option from FormatConverter.
> My residue seqCodes are definitely not preserved.
Well they are preserved in my output. Again, the _Residue_seq_code *has*
to start at 1 to make a valid BMRB file... but look at the following bit:
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 0 MET 2 1 ASN 3 2 CYS 4 3 GLY 5 4 PRO
6 5 PRO 7 6 PRO 8 7 THR 9 8 LEU 10 9 SER
...
You can see that the first residue of the sequence (MET) has
_Residue_seq_code 1 (this cannot be set to 0), but the
_Residue_author_seq_code is 0. This means that, in NMR-STAR terms, the
sequence code numbering of the author is preserved.
> I've just tried to open this project in Analysis (I did the ANSIG
> sequence and xpk file import in FormatCoverter) and get the dreaded
> "Project invalid, please quit, fix and re-start: add Resonance called on
> deleted ccp.Nmr.ResonanceGroup object" error message. I have emailed you
> the C4BP12.xml file.
Again, the project opens without problems...
> It works again today too. Most bizarre, I think the problem was the
> FormatConverter text output dialogue box wasn't refreshed so the
> information it required couldn't be entered.
Very possible. Again no problem to create a new shift list when I tried it
on your project.
I'll send you the chemical shift deposition file separately...
Bye,
Wim
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