|
Introduction
CrystMol provides for display, analysis, and manipulation of crystal and molecular structures of varying complexity, ranging from one-atom structures to macromolecules. CrystMol was designed as both a teaching and research tool focusing on individual molecules and crystal structures.
General
Interactive rotation, translation, zooming, and clipping.
Standard display styles: line, stick, ball & stick, and space filling.
Easy three-dimensional building and editing of molecules.
Torsion angle rotation.
Libraries of structures, supplied and user created.
High quality structure snapshots in various formats.
Copy/paste of snapshots to other applications.
Easy production of QuickTime movie clips.
Many highlighting and color options.
Easy control of lighting.
Molecular mechanics - small molecules and crystal structures.
Built-in electronic notebook.
Full documentation, including tutorials.
Structure overlay and comparison.
Crystal Structures
Built-in space group symmetry.
Easy addition and deletion of symmetry-related units.
Unit cell display.
Thermal ellipsoid display.
Hydrogen bond and close contact searching and display.
Disordered structures support.
Standard metrics with standard deviations.
Best plane calculation.
Crystal to Cartesian coordinate conversion.
Macromolecules
Residue, chain, and secondary structure support.
Support for domain assignment.
Easy hide/show of water and sidechains.
Ribbon style display.
Mixed style display.
Disordered area support.
Easy residue identification.
Secondary structure assignment.
Macromolecule Overlay and Comparison
Structure Import and Export
Input in Crystallographic Information File (CIF) format.
Input in Cambridge Data Base .dat format.
Input in Protein Data Bank (PDB) format.
Input in CRYM format.
Export in CIF format.
|
|
