CS imported from CCPN missing H7 for DNA T

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What steps will reproduce the problem?

Input of 14 T H7s fails to get parsed by FC.

  ################################################################
  # Stage 3: Determining atom naming system and creating mapping #
  ################################################################

  Naming system IUPAC selected

  Warning: set namingSystem for nameMapping from 'Unknown' to IUPAC.
  Error: No matches at all for resonance name h-y5.1.H7 (h-y5.1.H7)  - ccpCode T
...

Using input from:
http://www.bmrb.wisc.edu/ftp/pub/bmrb/entry_directories/bmr4400/bmr4400_21.str
{{{
NB this differs from: http://rest.bmrb.wisc.edu/bmrb/NMR-STAR2/4400
which only shows more restraints: '1H chemical shifts' 247 
but it is counting each H7 3 times.
This must have changed between the NMR-STAR versions:
_NMR_STAR_version        2.1.1
_NMR_STAR_version        2.1
}}}

   loop_
      _Atom_shift_assign_ID
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

        2  1 T  H7    H 1.931 0.001 .

Wim, Eldon, should I have used the 2.1.1 instead of 2.1?
2.1.1 has:

        2 .  1 DT H71  H 1.931 0.001 . 
        3 .  1 DT H72  H 1.931 0.001 . 
        4 .  1 DT H73  H 1.931 0.001 . 

Note the different residue name too.

Original issue reported on code.google.com by jurge...@gmail.com on 16 Dec 2010 at 3:23

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Wim, Eldon is recommending to use 2.1.1 is that fine with you too?

When I do use 2.1.1 for this DNA entry I get a bad match. Probably because we 
used a funky numbering:
{{{
       1 17 DT   2 18 DC   3 19 DT   4 20 DT   5 21 DC
       6 22 DC   7 23 DT   8 24 DT   9 25 DT  10 26 DT
      11  1 DC  12  2 DC  13  3 DT  14  4 DT  15  5 DC
      16  6 DT  17  7 DC  18  8 DC  19  9 DC  20 10 DG
      21 11 DA  22 12 DG  23 13 DA  24 14 DA  25 15 DG
      26 16 DG  27 27 DT  28 28 DT  29 29 DT  30 30 DT
}}}
but that is present in 2.1 as well. Is it the different residue numbers that 
disable your automatic matching?

Parsing STAR file: /Users/jd/wattosTestingPlatform/bmrb/2.1.1/00/bmr4400.str
Done [87] subs with comment at beginning of line
Done [249] subs with comment not at beginning of line
Parsed: [24] datanodes (top level count only)

*** Setting chain mapping automatically to: [['A', 'h-y5', 30, -29]] ***

keyword/value allowPopups/False
keyword/value useAmbiguity/True
keyword/value forceChainMappings/[['A', 'h-y5', 30, -29]]
keyword/value setSingleProchiral/True
keyword/value minimalPrompts/True
keyword/value setSinglePossEquiv/True
keyword/value useEmptyNamingSystems/False
keyword/value globalStereoAssign/False
keyword/value useCommonNames/False
keyword/value assignFormat/nmrStar
keyword/value guiParent/None
keyword/value useLinkResonancePopup/False

....

  Error: ignoring file resonance 'h-y5.10.H1''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H2''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H2'''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H3''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H4''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H6'... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H71'... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H72'... no matching residue in data model
  Error: ignoring file resonance 'h-y5.10.H73'... no matching residue in data model
  Error: ignoring file resonance 'h-y5.11.H1''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.11.H2''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.11.H2'''... no matching residue in data model
  Error: ignoring file resonance 'h-y5.11.H3''... no matching residue in data model

...

Original comment by jurge...@gmail.com on 17 Dec 2010 at 10:42

• Changed state: Started

[GoogleCodeExporter]

This is working now, must've been related to the changing of residue names in 
2.1.1

Original comment by wfvran...@gmail.com on 28 Feb 2011 at 10:07

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Cool, that works. Thanks Wim!

Original comment by jurge...@gmail.com on 28 Feb 2011 at 10:21

• Changed state: Fixed