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madscatt / zazzie

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Remove the "move direction" input from TAMC #27

Open StevenCHowell opened 8 years ago

StevenCHowell commented 8 years ago

I am cleaning up the TAMC documentation for protein moves. Now that we have post regions, is there still a need for the move direction input? These seem redundant. Plus, if we remove the move direction input, we eliminate potential errors when users select the opposite of what their post definition would indicate.

As the protein move needs to know which way to move things, a step could be added during the setup stage to figure out which direction should be used based on the relation between the resids in the flexible and post regions.

madscatt commented 8 years ago

We have use cases with protein systems and side chains were a move direction is required. It seems to mess up folks with multiple chains like b DNA. We should consider making it an advanced option, but the gui input needs to be considered.

StevenCHowell commented 8 years ago

In these cases, is there a way to use the post region to determine the move direction?

madscatt commented 8 years ago

Not sure. Catch me next week and we can work through this.