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Fig 1.

The black point is considered as the redundant point when it has a valence of three and is almost on the plane formed by its 1-ring neighborhoods in red color.

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Fig 1 Expand

Fig 2.

The redundant point whose valence is four.

The black point is redundant point. The red points are 1-ring neighborhoods of the black point. The figure shows two cases that the black point is near two different diagonals.

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Fig 2 Expand

Fig 3.

Diagram of an edge intersects with a triangle.

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Fig 3 Expand

Table 1.

Results of applying the initial meshes and the improved meshes to AFMPB and TetGen.

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Table 1 Expand

Table 2.

CPU time for mesh quality improvement by SMOPT.

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Table 2 Expand

Fig 4.

Initial mesh and improved meshes for an AChE monomer.

(a) is the initial mesh, (b) is the improved mesh by SMOPT and (c) is the improved mesh by ISO2mesh. The left sub-figure in (c) shows an example of self-intersection in the mesh improved by ISO2mesh. The red triangle intersect with the yellow triangle. The left sub-figure in (b) shows the same region as the sub-figure in (c) and there is no intersection.

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Fig 4 Expand

Table 3.

Number of non-manifold errors in meshes produced by SMOPT and ISO2mesh.

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Table 3 Expand

Fig 5.

Comparison of area and volume between the initial meshes and the improved meshes generated by SMOPT and ISO2mesh for molecules in Table 3.

(a) Area (b) Volume.

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Fig 5 Expand

Fig 6.

Distributions of ratio of the shortest edge length to the longest edge.

The left column is the ratios of the initial mesh, the middle column is the ratios of the improved mesh by our method and the right column is the ratios of the improved mesh by ISO2mesh.

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Fig 6 Expand

Fig 7.

Distributions of angles of each triangle.

The left column is the distributions of the initial mesh, the middle column is the distributions of the improved mesh by our method and the right column is the distributions of the improved mesh by ISO2mesh.

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Fig 7 Expand