Chain

Simulate linear chains

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

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