distance constraints between asymmetric components

Interactive modelling (MASSHA, SASpy) and global minimization programs (SASREF, BUNCH, CORAL, GLOBSYMM)
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ahinck
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distance constraints between asymmetric components

#1 Post by ahinck » 2011.05.10 03:38

I am using SASREF to do some rigid body modeling with a system with P2 symmetry. Is there a way to define distance constraints between the asymmetric elements related to another by the symmetry operator?

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AL
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#2 Post by AL » 2011.06.10 14:24

Sure. SASREF will create the symmetric subunits and you can provide contact conditions between any subunit pairs - symmetry related or not.
Attachments
sasref3.png
SASREF online: one can define contacts between any of the four subunits.
sasref3.png (21.51 KiB) Viewed 2982 times
sasref2.png
SASREF online: P2 complex with two subunits in the asymmetric part.
sasref2.png (22.53 KiB) Viewed 2982 times

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