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Up to date ensembles hotpot example #68

@hannahbruce

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@hannahbruce

Hey!

Thanks for this! I like running hotspots - it's very helpful for visualising active sites, but I was wondering if there was an up-to-date example for running ensemble hotspots? Looking at the selectivity example, I'm getting the following error:

AttributeError: '_GridEnsemble' object has no attribute 'from_grid_list'

The call seems to come from here:

grid_dic[p] = ens.from_grid_list(grid_list_p, getcwd(), prot_name, p, mode=mode)

the function seems to have been added in this PR: https://github.com/prcurran/hotspots/pull/32/files

but doesn't seem to exist anymore --- is there an older version of the code that would still be compatible with this example?

Thanks in advance!!

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