OEDepict TK offers rapid 2D coordinate generation and artful rendering of chemical structures. 2D coordinates can be generated from connection tables (e.g. SMILES) or 3D structures. Multiple image file formats are supported including:
In addition to standard depiction routines, OEDepict TK provides a powerful
graphics engine which supports:
Example of various depiction styles.
Example of highlighting styles available in OEDepict.
Example of molecule alignment based on MCS. The single bonds of the fit molecule are rotated to maximize its overlap with the reference structure.
The Cheminformatics suite of toolkits provides the core foundation upon which all of the OpenEye applications and remaining toolkits are built. The Cheminformatics suite is a collection of seven individual yet interdependent toolkits that are described in the table below.
The Modeling suite of toolkits provides the core functionality underlying OpenEye's defining principle that shape & electrostatics are the two fundamental descriptors determining intermolecular interactions. Many of the toolkits in the Modeling suite are directly associated with specific OpenEye applications and can therefore be used to create new or extend existing functionality associated with those applications.