SelectCrankshaftSmall

class SelectCrankshaftSmall : public feasst::TrialSelectParticle

Similar to SelectSegment, but optimized for small molecules using anchors. The sites which move (mobile sites) are rotated about an axis defined by two anchors.

Arguments

  • site[i]: add the (i+1)-th mobile site, beginning with i=1, where “site” is the first mobile site. The “[i]” is to be substituted for an integer 1, 2, 3 …

  • anchor_site0: an anchor site to define rotation axis.

  • anchor_site1: a second, different anchor site to define rotation axis.