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primaryodors / primarydock

PrimaryOdors.org molecular docker.
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FYG motif activation #399

Closed primaryodors closed 10 months ago

primaryodors commented 10 months ago

Using data from the cryo-EM models of hOR51E2, hTAAR1, and mTAAR9, it should be possible to estimate how class I and class II ORs, as well as human olfactory TAARs, might change shape upon activation.

About three quarters of all class II ORs have a Gly6.49 residue whose position is perfect for effecting the active motion of the cytoplasmic end of TMR6 by a small ψ-bond backbone rotation. Glycine is the most flexible amino acid in proteins, and the most logical site to look for a helix bend. Combining the cryo-EM motions with a Gly6.49 bend offers the current best chance of making accurate predictions about class II OR responses to ligands.

primaryodors commented 10 months ago

All tests passing.

primaryodors commented 10 months ago

It's doing this stupid "stack smashing" B.S. error again. No merging until that's resolved.

primaryodors commented 10 months ago

Hoping the memory leak fixes and memory initialization fixes resolve the smashy error.

🛌🏼

primaryodors commented 10 months ago

Would be a good idea to rerun unit_test_master before merging.