Chain

Simulate linear chains

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

Tutorial

• Simulation of a single freely-jointed chain of 10,000 monomers
• 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