SAMSON

SAMSON Elements

• Apps – generic classes with a graphical user interface that extend the functions of SAMSON
• Editors – classes that receive user interaction events to provide editing functions
• Models – classes that describe properties of nanosystems
• Parsers – classes that may parse files to add content to SAMSON's data graph

Modeling and simulation

• Structural models – describe geometry and topology
• Visual models – provide graphical representations
• Dynamical models – describe dynamical degrees of freedom
• Interaction models – describe energies and forces
• Property models – describe traits that do not enter in the first four model categories

Data graph

Node specification language

• Hydrogen – select all hydrogens
• atom.chainID > 2 – select all atoms with a chain ID strictly larger than 2
• Carbon in node.selected – select all carbons in the current selection
• bond.order > 1.5 – select all bonds with order strictly larger than 1.5
• node.type backbone – select all backbone nodes
• O in node.type sidechain – select all oxygens in sidechain nodes
• "CA" within 5A of S – select all nodes named CA that are within 5 angstrom of any sulfur atom
• node.type residue beyond 5A of node.selected – select all residue nodes beyond 5 angstrom of the current selection
• residue.secondaryStructure helix – select residue nodes in alpha helices
• node.type sidechain having S – select sidechain nodes that have at least one sulfur atom
• H linking O – select all hydrogens bonded to oxygen atoms
• C or H – select atoms that are carbons or hydrogens

  Features

• Managed memory
• Signals and slots
• Serialization
• Multilevel undo-redo
• Introspection
• Referencing
• Unit system
• Functors and predicate logic
• SAMSON Element source code generators

  SAMSON Connect