The OEComponent namespace encodes symbolic constants representing various types of OESzmap calculation component values (the results of calculations on individual orientations of the probe). These components are used to determine OEEnsemble values.
Interaction
Poisson-Boltzmann electrostatic probe|context interaction energy (kcal/mol).
PSolv
(Protein) context desolvation penalty (kcal/mol).
WSolv
(Water) probe desolvation penalty (kcal/mol).
VDW
Van der Waals energy (kcal/mol, MMFF94).
ProbeBurial
Fractional probe burial. Value ranges from 0.0 (exposed) to 1.0 (completely buried).
NumTypes
Number of OEComponent types.