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IHM Meeting Summary Dec 6 2018

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Ben Webb edited this page Dec 6, 2018 · 1 revision

IHM Meeting Summary Dec 6, 2018

Attended by Ben Webb, Mikael Trellet, Tom Goddard, John Westbrook and Brinda Vallat

  1. Work is in progress to support grouping of derived distance restraints in HADDOCK using the recent support for this in python-ihm.

  2. Discussion on the outcome of a recent workshop in Stockholm by the simulation community. They intend to develop an mmCIF-based format for archival, dissemination, and reproduction of trajectories and other results from molecular dynamics and other simulations. This may be informed by the previously-developed mdb extension, and this IHM work. A white paper is currently being worked on.

  3. Discussion on whether a model's representation had to be a strict subset of the model's assembly (issue 77). It was felt that representation and assembly are independent, and the representation need not be a strict subset. The checks in the python-ihm library that currently enforce the strict subset will be relaxed.

  4. Update on issue 76: work is under way to include multiple extension dictionaries in the audit_conform category.

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