Setting a Reasonable Charge State

The following example shows how to use OEGetReasonableProtomer to set a favorable ionization state assuming pH=7.4.

Command Line Interface

A description of the command line interface is shown as follows:

prompt> SetReasonableChargeState <mol-infile> <mol-outfile>

Code

Download code

SetReasonableChargeState.cs

See also

• OEGetReasonableProtomer function