Minor refactoring of molecular mechanics packages.
dp5.Tinker and dp.5MacroModel now have common SetupMM (ex SetupTinker, SetupMacromodel), RunMM(ex RunTinker, RunMacromodel), and ReadConformers methods.
Removed explicit imports of dp5.Tinker and dp5.Macromodel, which are now imported using ImportMM function in PyDP4.py similar to ImportDFT.
Minor refactoring of molecular mechanics packages.
dp5.Tinker
anddp.5MacroModel
now have commonSetupMM
(exSetupTinker
,SetupMacromodel
),RunMM
(ex RunTinker, RunMacromodel), andReadConformers
methods.Removed explicit imports of
dp5.Tinker
anddp5.Macromodel
, which are now imported usingImportMM
function inPyDP4.py
similar toImportDFT
.