Chain

Simulate linear chains

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

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