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tongjunfen

金虫 (小有名气)

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注册: 2008-11-25
专业: 有机高分子功能材料

[求助] 求助Platon软件计算的CgI_Perp 值（距离）为什么有正有负，怎么解释

Analysis of Short Ring-Interactions with Cg-Cg Distances < 6.0 Angstrom and Beta < 60.0Deg.
- Cg(I) = Plane number I (= ring number in () above)
- Alpha = Dihedral Angle between Planes I and J (Deg)
- Beta    = Angle Cg(I)-->Cg(J) or Cg(I)-->Me vector and normal to plane I (Deg)
- Gamma = Angle Cg(I)-->Cg(J) vector and normal to plane J (Deg)
- Cg-Cg = Distance between ring Centroids (Ang.)
- CgI_Perp = Perpendicular distance of Cg(I) on ring J (Ang.)
- CgJ_Perp = Perpendicular distance of Cg(J) on ring I (Ang.)
- Slippage = Distance between Cg(I) and Perpendicular Projection of Cg(J) on Ring I (Ang).
- P,Q,R,S  = J-Plane Parameters for Carth. Coord. (Xo, Yo, Zo)Cg(I) Res(I) Cg(J)  [ ARU(J)]    Cg-Cg Transformed J-Plane P, Q, R, S    Alpha  Beta Gamma CgI_Perp CgJ_Perp  Slippage

Cg(1)  [ 1] -> Cg(1)  [  6656.01]  5.6933(19)  0.1435 0.9067-0.3965  -6.7535       50 45.47 85.36  0.4603(14)  3.9929(14)
Cg(1)  [ 1] -> Cg(2)  [  1545.01]  4.6078(18) -0.1501 0.8902 0.4302 3.8002  2.18(17) 41.13 40.32  3.5132(14) -3.4709(12)
Cg(2)  [ 1] -> Cg(1)  [  1565.01]  4.6076(18) -0.1435 0.9067 0.3965  10.2607  2.18(17) 40.32 41.13 -3.4709(12)  3.5130(14)
Cg(2)  [ 1] -> Cg(1)  [  5455.01]  5.2964(18) -0.1435 0.9067 0.3965 9.3933  2.18(17) 59.11 60.56 -2.6035(12)  2.7190(14)
Cg(2)  [ 1] -> Cg(2)  [  3656.01]  4.7884(17)  0.1501-0.8902-0.4302  -3.7988       0 43.56 43.56 -3.4697(12) -3.4697(12) 3.300
Cg(2)  [ 1] -> Cg(3)  [  1545.01]  3.8289(17) -0.1465 0.8921 0.4275 3.7708  0.27(15) 25.04 24.85  3.4743(12) -3.4689(12)
Cg(2)  [ 1] -> Cg(3)  [  1565.01]  4.9482(18) -0.1465 0.8921 0.4275  10.7217  0.27(15) 45.51 45.36 -3.4766(12)  3.4675(12)

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