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7k00 fails to run to completion due to AttributeError #279

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russell-taylor opened this issue Dec 12, 2023 · 2 comments
Open

7k00 fails to run to completion due to AttributeError #279

russell-taylor opened this issue Dec 12, 2023 · 2 comments

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@russell-taylor
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Nigel has made a lot of progress defining things needed by this molecule. We are still having an issue: "Looking into how to handle the additional hydrogens so that an array does not get to be the correct length; will talk with Oleg."

AttributeError: 'manager' object has no attribute '_type_h_bonds'

@nwmoriarty
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This completes without crashing but does not add "all" H atoms.

@russell-taylor
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@nwmoriarty are you saying that when you run the following command it completes without error?
mmtbx.reduce2 add_flip_movers=True output.overwrite=True 7k00.cif

For me, on a branch that was recently merged with master and with updated submodules on Windows 11, it gives the following error:

                         ----------Optimizing----------

AttributeError: 'manager' object has no attribute '_type_h_bonds'

During handling of the above exception, another exception occurred:

Sorry: Could not find atom info for A A 2 P (perhaps interpretation was not run on the model?)

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