Deepak Thankappan Nair wrote:
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Can anybody tell me a method to quantitate shape complementarity
between two surfaces? Sc program in CCP4 is not running properly.
thanks and regards
Deepak
I think SC is THE way to calculate it.
If not working in the current release, we should get it fixed.
Can you be more specific?
For me using ccp4-6.2.0 it runs and gives apparently reasonable output:
Mean normal product: surface 2 to surface 1 = 0.419
Median normal product: surface 2 to surface 1 = 0.411
Summary of results:
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D(A->B) D(B->A) D(A->B)+D(B->A)/2
Mean 1.168 1.057 1.113
Median 1.116 1.000 1.058
S(A->B) S(B->A) S(A->B)+S(B->A)/2
Mean 0.389 0.419 0.404
Median 0.355 0.411 0.383
Shape complementarity statistic Sc = 0.383
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