Voxel feature center

[tonychenxyz]

It seems that voxel features are computed with mutation site to be the center. I wonder how would it impact model performance if we fix center of voxel features so voxels are aligned in terms of spatial orientation?

[computbiolgeek]

Hello, thanks for your question. Sorry about the late reply. If I understand your question correctly, when one uses the Rosetta-based script rosetta_relax.py to generate the mutant structure, the mutant structure will have the same orientation as the wild-type structure. So in a sense, the voxels are already aligned. However, the current implementation is not rotation invariant, and we hope to make improvements in a future version.