[buster-discuss] No information on geometry deviations in BUSTER_model.cif

[Derek Logan]

Dear all,

I just tried my first PDB deposition using a CIF file from Buster and I noticed that the PDB entry does not include any information about rms deviations from ideal geometry or restraints applied. Is this a bug or a feature? I can't see any such information in the CIF file. I am using the version from 20190301.

Best regards
Derek

REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.
REMARK   3    BOND LENGTHS              : NULL   ; NULL   ; NULL
REMARK   3    BOND ANGLES               : NULL   ; NULL   ; NULL
REMARK   3    TORSION ANGLES            : NULL   ; NULL   ; NULL
REMARK   3    TRIGONAL CARBON PLANES    : NULL   ; NULL   ; NULL
REMARK   3    GENERAL PLANES            : NULL   ; NULL   ; NULL
REMARK   3    ISOTROPIC THERMAL FACTORS : NULL   ; NULL   ; NULL
REMARK   3    BAD NON-BONDED CONTACTS   : NULL   ; NULL   ; NULL
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL
REMARK   3    CHIRAL IMPROPER TORSION   : NULL   ; NULL   ; NULL
REMARK   3    SUM OF OCCUPANCIES        : NULL   ; NULL   ; NULL
REMARK   3    UTILITY DISTANCES         : NULL   ; NULL   ; NULL
REMARK   3    UTILITY ANGLES            : NULL   ; NULL   ; NULL
REMARK   3    UTILITY TORSION           : NULL   ; NULL   ; NULL
REMARK   3    IDEAL-DIST CONTACT TERM   : NULL   ; NULL   ; NULL
REMARK   3
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.
REMARK   3    BOND LENGTHS                       (A) : NULL
REMARK   3    BOND ANGLES                  (DEGREES) : NULL
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : NULL

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