OELib - OEChem Open Source Cheminformatics library (Disscontinnued)

OELib -
OEChem



https://en.wikipedia.org/wiki/OELib
https://www.eyesopen.com/oechem-tk





OELib was an Open Source Cheminformatics library. Its actual GPLed C++ and Java successors are OpenBabel and JOELib. Its commercial successor is called OEChem.

See also

• JOELib
• OpenBabel

External links

• Archived copy of OELib in 2008 on Internet Archive.
• OEChem

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OEChem TK

Programming Library for Chemistry and Cheminformatics

OEChem TK is a programming library for chemistry and cheminformatics that is fast and flexible. OEChem TK has many simple yet powerful functions that handle the details of working with small molecules, as well as an expanding number of functions for dealing with proteins. High-level functions provide simplicity while low-level functions provide flexibility. 
The OEChem TK also includes two sub-libraries designed to handle macromolecules (OEBio) and grids (OEGrid).
Key Features of OEBio:

• protein residue, the primary, secondary and tertiary structure hierarchy perception
• crystal symmetry handling
• sequence alignment
• management of torsions, rotamer libraries, and alternate conformations

Key Features of OEGrid:

• support for the following grid file formats: Grasp, GRD (OpenEye Binary format), CCP4, XPLOR

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