Finding pockets and their properties (like, Surface Area) from a PDB file

This example shows how to find pockets in an input PDB file using the OEFindPockets function. OEDesignUnit file (OEDesignUnit) can also be used as input to find the pockets.

Command Line Interface

This example uses an input PDB file, and will print surface area and list of residues for each found pocket in given PDB file.

prompt> findpockets <input protein molecule or DesignUnit file>

Code

Example

See also

• OEPocketOptions class