Szybki TK 2.0.3¶
New features¶
- New OETorsionScanOptions::SetPenaltyForceConstant and OETorsionScanOptions::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.