The Builder enables you to build, visualize, modify, and manipulate 3D images of chemical systems to be used in ECCE calculations. Chemical systems may also be exported in standard file formats such as XYZ and PDB for use outside of ECCE. In the Builder's work area, a molecule can be constructed by
- building atom-by-atom
- building symmetric molecular systems with the Symmetry Toolkit
- modifying pre-built structures from an extensive molecular structure library
- modifying and building very large systems with the Molecular Dynamics Toolkit
- importing structures from an external file, including large Protein Data Bank residues
Display types supported include ball & stick, ball & wireframe, stick, wireframe, and space filling (CPK). Images can be exported for use in publications and presentations.
The Builder can handle large chemical systems of tens of thousands of atoms—up to the practical limits imposed by your graphics hardware, machine memory, and processor.
To learn more, use the Help menu from the ECCE Builder application (this application was converted to use client-based help that isn't available from a web server).