[WIP] Improved method of selecting positions for added residues #198
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@peastman: Is this still in the works, or is it ready to merge? |
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No, the changes so far didn't solve the problem. I'm still trying to figure it out. |
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This is an attempt at fixing some of the problems in #145. After selecting initial positions for added residues, but before running the main energy minimization, it optimizes a coarse grained model that represents each residue as a single bead. This should reduce the chance of a new residue getting put right on top of an existing one.