CML - representing multiple conformations

Joe.Tucker
2007-12-06
2013-04-22
  • Joe.Tucker
    Joe.Tucker
    2007-12-06

    It seems to me that there are at least two alternatives:
    1) for each conformation, have the "main" molecule contain one child molecule which contains one atomArray.
    2) for each conformation, have the "main" molecule contain multiple atomArrays.

    Which is better and why ?
    And what if there is only one known conformation ?