Building Structures with the Materials Science Suite

The Materials Science suite offers a number of specialized tools for building and enumerating different types of structures, in addition to the core Maestro tools for building. Some panels provide access to libraries of structures that can be used directly or as input for structure building. Tools from both Materials Science and core Maestro are listed below. The linked help topics provide information on using the panel as well as details of the panel features.

• Organometallic complexes (Single Complex Builder Panel, Build Multiple Complexes Panel, Sculpt Complex Panel, Complex Enumeration and Stability Analysis Panel)
• Structure libraries (Custom R-Group Enumeration Panel, R-Group Creator Panel)
• Element variations (Elemental Enumeration Panel, Enumerate Periodic Structures Panel)
• Reactant, product, transition state structures (Reaction Channel Enumeration Panel, Reaction Path Interpolation Panel)
• Nanotubes and nanosheets (Nanostructure Builder Panel)
• Nanoparticles (Nanoparticle Builder Panel)
• Disordered molecular systems (Disordered System Builder Panel, Enumerate Disordered Systems Panel)
• Crystal structures (New Crystal Structure Panel)
• Slabs and interfaces (Build Slabs and Interfaces Panel, Import Slabs Panel, Enumerate Adsorbates Panel)
• Polymers and amorphous polymer cells (Polymer Builder Panel, Crosslink Polymers Panel, Semicrystalline Polymer Builder Panel)
• General searches for materials structures to import (Query Local Materials Panel, Query Materials Project Database Panel)

For information on general structure-building and adjustment tools, the following topics may be helpful:

• Building and Editing Structures
• Adjusting Structures