IHM Meeting Summary Mar 9 2017

IHM Meeting Summary Mar 9, 2017

Attended by BW, JW and BV

1. Starting models with MSE and other amino acid residue modifications create minor differences between the molecular system in the current entry and the starting structural model in the database. BV will create a category similar to struct_ref_seq_dif to capture these minor differences in the sequences of the current entry and the starting model entry in the database.

2. Generalization of ihm_time_ordered_ensemble to capture other kinds of ordering (eg: reaction coordinate with no time information) requires some more thought.

3. Issue 12: It may be better to include the external file field in the ihm_ensemble_info category rather than the ihm_model_list category. ihm_model_list is an inventory list of models deposited in the archive.

4. Issue 21: Perhaps include ihm_multi_state_modeling.experiment_type as an enumerated list with the different options (currently, "Fraction of bulk" and "Single molecule"). For further discussion: Can ihm_multi_state_modeling handle two set of experiments carried out separately (one belonging to each of the above-mentioned experiment types) that lead to a single set of multi-state models?

5. New methods paper on Bayesian modeling of 3DEM restraints in IMP: May require some new data items in the ihm_3dem_restraint category.

6. BV to update monthly meeting schedule for the larger group on the wiki page. Time to be decided by doodle poll.