data-flow programs for molecular modeling

[rsefeck(-(at)-)watson.ibm.com]

  I would like to add some comments on the issue of data-flow
  programs and importing data from various modeling and
  Ab-initio programs.
  One of the advantages I found of the IBM Data Explorer Program is the way in
  which data is handled ie... Data Explorer has a true data model, the data
  is self describing and as a result importing data into DX is relatively
  painless. Regualar grided data like electron densities, Potential fields
  results of MO calculations etc. are easily handled with the addition of
  a few lines of header information.
  Molecular geometries require a list of X,Y,Z's and a connection table
  which is a bit more work but over all I have not found a need to have
  specific filters for importing various chemistry data types.
  What's nice with a true data model is that multiple data types and be imported
  together to do some correlative analysis .