bad save to rdb

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================================================================================
======================
| CING: Common Interface for NMR structure Generation version 0.95 (r917)       
AW,JFD,GWV 2004-2010 |
================================================================================
======================
User: jd         on: nmr.cmbi.umcn.nl (darwin/32bit/8cores/2.6.5) at: (65439) 
Mon Jan 31 14:07:34 2011
DEBUG: Starting doStoreCING2db using:
DEBUG: entry_code:           2v93
DEBUG: archive_id:           ARCHIVE_NRG
DEBUG: user_name:            pdbj
DEBUG: db_name:              pdbmlplus
DEBUG: schema:               nrgcing
DEBUG: doReadProject:        True
Connection cgenericSql:            localhost  pdbmlplus    nrgcing       pdbj
DEBUG: Residue._nameResidue: residue "MXT" not defined in database by 
convention [INTERNAL_0]. Adding non-standard one now.
==> Calculating rmsd's (ranges: A.5-370,B.500,C.600, models: 0-49)
----------- Molecule: 2v93 -----------
chains:      3 [<Chain A>, <Chain B>, <Chain C>]
residues:    372
atoms:       6695
models:      50
resonances:  0 per atom; sources []
assignments: 0 (0 stereo)
--------------------------------------
==> Saved <Molecule "2v93" (C:3,R:372,A:6695,M:50)> to 
"2v93.cing/Data/Molecules/2v93"
==> Restoring <Project 2v93> ... 
==> Calculating rmsd's (ranges: A.5-370,B.500,C.600, models: 0-49)
----------- Molecule: 2v93 -----------
chains:      3 [<Chain A>, <Chain B>, <Chain C>]
residues:    372
atoms:       6695
models:      50
resonances:  0 per atom; sources []
assignments: 0 (0 stereo)
--------------------------------------
==> Restoring Wattos results
WARNING: Failed to find wattos completeness check result file: 
2v93.cing/2v93/Wattos/wattos_completeness_chk.str
==> Restoring whatif results
DEBUG: Whatif._processCheckdb: mapping entity "0 ; A    ;  500 ; MXT5 ; _" 
descriptor, tuple ('IUPAC', 'A', 500, None)
DEBUG: Whatif._processCheckdb: mapping entity "0 ; A    ;  600 ; MXT6 ; _" 
descriptor, tuple ('IUPAC', 'A', 600, None)
DEBUG: Whatif._processCheckdb: mapping entity "0 ; A    ;   39 ; HIS  ; _    ;  
HD1 ; _" descriptor, tuple ('IUPAC', 'A', 39, 'HD1')
DEBUG: Whatif._processCheckdb: mapping entity "0 ; A    ;   64 ; HIS  ; _    ;  
HD1 ; _" descriptor, tuple ('IUPAC', 'A', 64, 'HD1')
DEBUG: Whatif._processCheckdb: mapping entity "0 ; A    ;  203 ; HIS  ; _    ;  
HD1 ; _" descriptor, tuple ('IUPAC', 'A', 203, 'HD1')
==> Restoring DSSP results
==> Restoring procheck results
WARNING: Failed to find 2v93.cing/2v93/Procheck/postscriptFiles.lis in 
getPostscriptFileNames
==> Restoring shiftx results
==> Calculating Q-factors for chemical shift
==> Analyzing restraints
==> Calculating rmsd's (ranges: A.5-370,B.500,C.600, models: 0-49)
==> Found assigned/overall/fraction for spins:    13C 0/1878/0.00   15N 
0/473/0.00   1H 0/2476/0.00
==> Only spins with fraction >= 0.85 will be flagged when missing: {'13C': 
False, '1H': False, '15N': False}
==> Criticizing project
==> Generating Macros
-------------------------------------------------------
==> Saving <Project 2v93>
==> Saved <Molecule "2v93" (C:3,R:372,A:6695,M:50)> to 
"2v93.cing/Data/Molecules/2v93"
==> Saved talos+ results to "2v93.cing/2v93/talosPlus/talosPlus.sml"
==> Saved queeny results to "2v93.cing/2v93/Queeny/queeny.sml"
Finished restoring project <Project 2v93>
DEBUG: Removed original entries numbering: 1
CING started at : Mon Jan 31 14:07:30 2011
CING stopped at : Mon Jan 31 14:09:32 2011
CING took       : 121.781 s

Traceback (most recent call last):
  File "/Users/jd/workspace35/cingStable/python/cing/NRG/storeCING2db.py", line 643, in <module>
    status = doStoreCING2db(*sys.argv[1:])
  File "/Users/jd/workspace35/cingStable/python/cing/NRG/storeCING2db.py", line 549, in doStoreCING2db
    a_wi_mischk = atom.getDeepAvgByKeys(WHATIF_STR, MISCHK_STR, VALUE_LIST_STR)
  File "/Users/jd/workspace35/cingStable/python/cing/Libs/NTutils.py", line 1750, in getDeepAvgByKeys
    r = result.average()
  File "/Users/jd/workspace35/cingStable/python/cing/Libs/NTutils.py", line 503, in average
    self.av, self.sd, self.n = NTaverage(self, byItem)
  File "/Users/jd/workspace35/cingStable/python/cing/Libs/NTutils.py", line 2698, in NTaverage
    if not isNaN(val):
  File "/Users/jd/workspace35/cingStable/python/cing/Libs/fpconst.py", line 106, in isNaN
    return (_exponent(value)==0x7ff and not _zero_mantissa(value))
  File "/Users/jd/workspace35/cingStable/python/cing/Libs/fpconst.py", line 80, in _exponent
    bb = _double_as_bytes(dval)
  File "/Users/jd/workspace35/cingStable/python/cing/Libs/fpconst.py", line 58, in _double_as_bytes
    tmp = list(struct.unpack('8B',struct.pack('d', dval)))
struct.error: required argument is not a float

Original issue reported on code.google.com by jurge...@gmail.com on 31 Jan 2011 at 1:11

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fixed in r918.

Original comment by jurge...@gmail.com on 31 Jan 2011 at 1:23

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Original comment by jurge...@gmail.com on 31 Jan 2011 at 1:27

• Changed state: Fixed