Szybki TK 2.0.3¶
New features¶
New
OETorsionScanOptions::SetPenaltyForceConstant
andOETorsionScanOptions::GetPenaltyForceConstant
methods have been added.
Documentation changes¶
The example code in the Estimation of solution ligand entropy section has been adjusted for solution environment by using the
OESolventModel::Sheffield
constant.