Chain

Simulate linear chains

• PerturbSiteType
• PerturbToAnchor
• PerturbPositionSwap
• SelectTwoSites
• SelectPerturbed
• SelectParticlePivot
• SelectSiteOfType
• SelectBranch
• SelectSegment
• SelectEndSegment
• SelectCrankshaftSmall
• EndToEndDistance
• RadiusOfGyration
• PerturbConnector
• SelectReptate
• PerturbCrankshaft
• PerturbCrankshaftSmall
• PerturbLibrary
• PerturbParticlePivot
• PerturbPivot
• PerturbBranch
• PerturbDistanceAngleConnector
• PerturbReptate
• AnalyzeBonds
• TrialGrow
• TrialSwapSites
• TrialGrowLinear
• TrialCrankshaft
• TrialCrankshaftSmall
• TrialReptate
• TrialPivot
• TrialParticlePivot
• GhostTrialGrow

Tutorial

• Simulation of a single freely-jointed chain
• Simulation of a single chain
• Simulation of a single 20-bead linear chain
• Scattering calculations for hard sphere coarse-grained mAb models
• Temperature extrapolation of the radius of gyration
• Testing angles and branches

FEASST plugin dependencies

• Monte Carlo