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Dear All:
A dataset was indexed as R3 space group and
subjected into CNS 1.1 program as molecular replacement.
Fortunately, a specific solution was obtained with high
c.c value. With inspection of the pdb and density map, most part were
fitted.
However, the pdb doesn't refine by refmac 5.0 module of CCP4
5.0.2 version.
A fatal error was showed and program was halted.
I have no idea about that.
Any helps would be high appreciated.
Thank you very much.
jaishin
--- title of input coord file --- PDB_code:XXXX PDB_name:---- PDB_date:XX-XXX-XX -------------------------------- WARNING : atom :CD ILE AA 7 is absent in the library ATTENTION: atom:CD1 ILE AA 7 is missing in the structure WARNING : atom :CD ILE AA 9 is absent in the library ATTENTION: atom:CD1 ILE AA 9 is missing in the structure WARNING : atom :CD ILE AA 15 is absent in the library ATTENTION: atom:CD1 ILE AA 15 is missing in the structure WARNING : atom :CD ILE AA 16 is absent in the library ATTENTION: atom:CD1 ILE AA 16 is missing in the structure WARNING : atom :CD ILE AA 31 is absent in the library ATTENTION: atom:CD1 ILE AA 31 is missing in the structure WARNING : atom :CD ILE AA 47 is absent in the library ATTENTION: atom:CD1 ILE AA 47 is missing in the structure WARNING : atom :CD ILE AA 50 is absent in the library ATTENTION: atom:CD1 ILE AA 50 is missing in the structure WARNING : atom :CD ILE AA 66 is absent in the library ATTENTION: atom:CD1 ILE AA 66 is missing in the structure WARNING : atom :CD ILE AA 74 is absent in the library ATTENTION: atom:CD1 ILE AA 74 is missing in the structure WARNING : atom :CD ILE AA 92 is absent in the library ATTENTION: atom:CD1 ILE AA 92 is missing in the structure WARNING : atom :CD ILE AA 110 is absent in the library ATTENTION: atom:CD1 ILE AA 110 is missing in the structure WARNING : atom :CD ILE AA 117 is absent in the library ATTENTION: atom:CD1 ILE AA 117 is missing in the structure WARNING : atom :CD ILE AA 149 is absent in the library ATTENTION: atom:CD1 ILE AA 149 is missing in the structure WARNING : atom :CD ILE AA 155 is absent in the library ATTENTION: atom:CD1 ILE AA 155 is missing in the structure WARNING : atom :CD ILE AA 164 is absent in the library ATTENTION: atom:CD1 ILE AA 164 is missing in the structure WARNING : atom :CD ILE AA 167 is absent in the library ATTENTION: atom:CD1 ILE AA 167 is missing in the structure WARNING : atom :CD ILE AA 173 is absent in the library ATTENTION: atom:CD1 ILE AA 173 is missing in the structure WARNING : atom :CD ILE AA 175 is absent in the library ATTENTION: atom:CD1 ILE AA 175 is missing in the structure WARNING : atom :CD ILE AA 189 is absent in the library ATTENTION: atom:CD1 ILE AA 189 is missing in the structure WARNING : atom :CD ILE AA 196 is absent in the library ... and more ... ATTENTION: atom:CD1 ILE AA 196 is missing in the structure ... and more ... Spacegroup information obtained from library file:
Logical Name: SYMINFO Filename: C:\CCP4win5.0.2\lib\data\syminfo.lib End of this subr Number of chains : 2 Total number of monomers : 696 Number of atoms : 5402 Number of missing atoms : 66 Number of rebuilt atoms : 0 Number of unknown atoms : 66 Number of deleted atoms : 0 Number of bonds restraints : 5360 Number of angles restraints : 7282 Number of torsions restraints : 3606 Number of chiralities : 870 Number of planar groups : 928 IERR = 1 There is error. See above ===> Error: Fatal error. Cannot continue <B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN--> Refmac_5.2.0005: Fatal error. Cannot continue Times: User: 0.0s System: 0.0s Elapsed: 0:17 </pre> </html> <!--SUMMARY_END--> |
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