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.