Can anyone tell me how to determine the weighting of all the scoring terms?
Hi
Weights are stored in an EnergyMap with is essentially a 1d vector, with an entry for each score term.
Here is an example of how to print the energy weights out of a score function.
{CODE()} using namespace core::scoring
ScoreFunction scorefxn( ScoreFunctionFactory::create_score_function( STANDARD_WTS ) );
EnergyMap emap( scorefxn.weights() );
{CODE}
This can then be piped with the two brakets operator to cout for example.
Hope that helps,
Best, Matt
> Can anyone tell me how to determine the weighting of all the scoring terms?
Hi
Weights are stored in an EnergyMap with is essentially a 1d vector, with an entry for each score term.
Here is an example of how to print the energy weights out of a score function.
{CODE()}
using namespace core::scoring
ScoreFunction scorefxn( ScoreFunctionFactory::create_score_function( STANDARD_WTS ) );
EnergyMap emap( scorefxn.weights() );
{CODE}
This can then be piped with the two brakets operator to cout for example.
Hope that helps,
Best,
Matt
> Can anyone tell me how to determine the weighting of all the scoring terms?