Model Builders
SCIGRESS provides wizards to aid in the development of unit cells targeted at molecular dynamics simulation investigations. SCIGRESS Model Builders include:
Random Cell enables you to create a Molecular Dynamics (MD) cell with a mixture of various kinds of atoms and molecules that are randomly configured.
Template Cell enables you to create a crystal structureMDcell bymaking use of an existing template which incorporates the fractional coordinates of (atomic) positions and the cell parameters.
Interface Cell enables you to add juxtapose MD cells together in any direction.
Liquid Crystal Cell enables you to create a liquid crystal structure MD cell by configuring liquid crystal molecules in a particular phase.
Homopolymer enables you to build a unit cell containing homopolymers using a monomer in which the head and tail atoms have been defined.
Block Polymer enables you to build a unit cell with two or more segments of polymers in which the head and tail atoms have been defined.
Random Polymer enables you to build a unit cell that contain two or more different polymers randomly arranged.
Homodendrimer enables you to build a unit cell containing a dendrimer repeating the same dendrimer monomer.
Random Dendrimer Builder enables you to build a unit cell by generating a random dendritic structure from multiple dendron monomers.
Infinite Chain Builder enables you to configure infinite chain molecules along the c-axis in a unit cell.
Amorphous Cell enables you to construct unit cell containing an amorphous state of polymers built with Polymer Builder.
Random Polymer Cell enables you to build a unit cell containing random polymers.
