primaryodors / primarydock

PrimaryOdors.org molecular docker.
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Detect opportunities to improve placement of TMRs in coupled model. #272

Closed electronicsbyjulie closed 1 year ago

electronicsbyjulie commented 1 year ago

After the merger of #268, it would be a good idea to enhance couple.cpp to find any clashes or missed contacts between TM helices in the model, and adjust the helices' positions accordingly. This would include any kind of TMR6-EXR2 contact, if there is one.