Release of mmcif.1991.10.06

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Hi folks -

As promised, John has proofed the latest version of the dictionary, and it has
been posted on the Web server at Rutgers.

You've seen most of the issues that have been dealt with discussed on this
list as they were being implemented, but I'll provide the audit trail here
just for the sake of completeness.

I'll remind you that we know there are still outstanding issues, and they are
still on our list to either discuss or to implement decisions we have already
reached.  We meet again at Rutgers this coming Wednesday evening, so if you
having any new things to bring up, please do.  We won't be meeting next week
as I am out of town, but we will be getting together again the week after
that.
 
Cheers - Paula

- - - - -

  0.7.27 1995-09-27
;
  Changes (JDW & SH):
    + Added _item_aliases.dictionary and _item_aliases.version to all
      alias items.
    + Added several missing aliases from cifdic.C94.
    + Added a few missing data type codes in chem_link_*
    + Modified all _item_range items to reflect the correction in
      DDL 2.1.1.  Checked all of the boundary conditions on ranges.
    + Made corrections in virtually all of the regular expressions.
    + Added data types 'ucode' and 'uchar'.  These are case insensitive
      character types for words and single line strings, respectively.
      The regular expressions for these items will match characters
      of upper and lower case but the primitive type is uchar so
      all comparisons are performed in upper case.  This avoids
      problems with case, where case is really not important.
    + Reviewed all items with character data types and made the following
      changes (hopefully uniformly):
       -  Data items with single word enumerates were set to type 'ucode'.
       -  Data items with multi word enumerates were set to type 'uchar'.
       -  Any item which could potentially exceed 80 characters was
          set to type text.
       -  Items which are restricted to single words were set to type 'code'.
       -  Items which are short strings which may not span lines were
          set to type 'char'.
    + Moved aliases for anisotropic temperature factors from category
      ATOM_SITE to ATOM_SITE_ANISOTROP
    + Added category DATABASE_PDB_MATRIX to hold the SCALE and ORIGX
      matrices/vectors.
    + Modified the defintions of data types 'char1' and 'char3' to
      permit leading '+' to indicate a modification.
    + Checked dictionary with SIFLIB and returned to Paula ...
;
  0.7.28 1995-10-06
;
  Changes (PMDF):
    + Removed loop from category example for DATABASE_2
    + Fixed data names in category example for STRUCT_KEYWORDS
    + Rewrote enumeration list for _struct_conf_type.id
    + Removed references to chemical_formula.appendix and replaced them with
      reference to the CHEMICAL_FORMULA category description
    + Added data items _chem_comp.formula and _chem_comp.formula_weight
    + Changed _chem_link_angle.atom_1_atom_id to _chem_link_angle.atom_id_1
    + Changed _chem_link_angle.atom_2_atom_id to _chem_link_angle.atom_id_2
    + Changed _chem_link_angle.atom_3_atom_id to _chem_link_angle.atom_id_3
    + Changed _chem_link_bond.atom_1_atom_id to _chem_link_bond.atom_id_1
    + Changed _chem_link_bond.atom_2_atom_id to _chem_link_bond.atom_id_2
    + Realphabetized to accomodation the above changes
    + Added CHEM_LINK_CHIR category
    + Added CHEM_LINK_CHIR_ATOM category
    + Added CHEM_LINK_PLANE category
    + Added CHEM_LINK_PLANE_ATOM category
    + Added CHEM_LINK_TOR category
    + Added CHEM_LINK_TOR_VALUE category
    + Added entries to parent/child table for _chem_link.id for reflect the
        addition of the new categories.
    + Added Engh and Huber/Priestle examples to CHEM_LINK_BOND and
        CHEM_LINK_ANGLE
    + Realphabetized categories in PHASING_MAD section
  Changes (JDW):
    + Added _item_type.code's for _chem_link_chir*.atom_id and
      _chem_link_tor.atom_id_*.
;

- - - - -

********************************************************************************
 Dr. Paula M. D. Fitzgerald  ______________ voice and FAX: (908) 594-5510
   Merck Research Laboratories ______________ email: paula_fitzgerald@merck.com
     P.O. Box 2000, Ry50-105     ______________ or bean@merck.com           
       Rahway, NJ 07065  USA 
         (for express mail use 126 E. Lincoln Ave. instead of P. O. Box 2000)  
********************************************************************************

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