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Table 2 Spindles in dataset B

From: Precise parallel volumetric comparison of molecular surfaces and electrostatic isopotentials

\(c_x\)

\(c_y\)

\(c_z\)

\(p_x\)

\(p_y\)

\(p_z\)

\(r_maj\)

\(r_min\)

endcap1

endcap2

2.9283

3.9283

6.2286

\(-\) 0.6804

\(-\) 0.6804

0.2725

4.9158

4.6742

\(-\) 3.1616

2.3346

5.9856

6.1531

5.2775

0.7379

\(-\) 0.5270

0.4216

4.0370

4.7434

\(-\) 3.7995

3.3740

3.0000

4.0000

8.5000

\(-\) 0.9863

0.0000

\(-\) 0.1644

4.0206

3.0414

\(-\) 1.8348

1.8348

4.8566

6.6324

5.7757

0.8137

0.4650

\(-\) 0.3487

5.2327

5.3012

\(-\) 2.9534

3.6970

4.0000

7.0000

6.5000

\(-\) 0.5963

0.2981

0.7454

4.1733

4.3541

\(-\) 2.7276

2.7276

  1. Dataset B has 5 spindles. The torus describing the spindle is centered at \(\{c_x, c_y, c_z\}\). The vector perpendicular to the plane of the torus is oriented in the direction of \(\{p_x, p_y, p_z\}\). The distance between the torus center and the center of the probe is \(r_maj\), and \(r_min\) is the radius of the probe. Endcap1 and endcap2 indicate the distance of the endcaps of the spindle from the center along the perpendicular vector