8.19 OEPDBOFlag

The code OEPDBOFlag namespace is used to encode the output flavors used by OEChem's PDB file writer. For a description of their meanings see the documentation for the OEWritePDBFile function.

namespace OEPDBOFlag
{
const unsigned int BONDS   = 0x01;
const unsigned int ORDERS  = 0x02;
const unsigned int BOTH    = 0x04;
const unsigned int CHARGE  = 0x08;
const unsigned int RADIUS  = 0x10;
const unsigned int TER     = 0x20;

const unsigned int DELPHI  = 0x18;
const unsigned int DEFAULT = 0x00;
}

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1