Manual active models #437
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Manual active models #437
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The manual OR5P3 model has generated a successful agonist score of 6.83 for coumarin, a known strong agonist. The active dock shows hydrogen bonds to Thr109(3.37) and Asn155(4.56), along with favorable hydrophobic interactions on helices 3, 4, 5, and 6.
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A manually generated example .pepd file for creating an active state of OR5P3.
There are also fixes for the viewer's residue popup, formatting of output PDBs, and new commands for Pepteditor.
Waiting on some OR51E2 tests to find out if the code change will interfere with that receptor's successful SCFA predictions.