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IHM Meeting Summary Aug 16 2018

brindakv edited this page Aug 17, 2018 · 2 revisions

IHM Meeting Summary Aug 16, 2018

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

  1. Mikael is working on implementing support for the IHM-dictionary on Haddock. The deposited structure PDBDEV_00000014 can now be reproduced automatically from HADDOCK. Mikael is working on developing a generic implementation that works for all structures modeled using HADDOCK. This support has been implemented using the python-ihm library.

  2. Discussions are ongoing for creating data standards for archiving the results of MD simulations. There will be a workshop in Europe regarding the same.

  3. Issue 70: The proposal is to include a pointer to the model number within the struct_group categories that are derived from the atom_site cateogory. This will allow for multi-state ensembles that comprise of constitutionally or conformationally different models. The proposed change would make the data model clean, but can cause a lot of redundancy (in cases where the ensembles are truly homogeneous). Alternate ways of dealing with this issue are being considered.

  4. Next meeting is on Thursday, August 23rd, at 9:00 AM PDT / 12:00 PM EDT / 6:00 PM CEST.

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