Changelog for v.7.x.x#
v.7.0.0#
This version introduces major changes and some breaking changes due to changes in a couple function names. The changes include new exposed classes and functions and changes in existing classes and functions corresponding to the changes in SAMSON SDK 7.0.0 (see Changelog for SAMSON SDK 7.0.0).
SAMSON Facade#
New functionality:
Breaking changes:
renamed isAppInitialized to
samson.SAMSON.appIsInitialized()
Types#
Updated values for physical constants in SAMSON SDK in correspondence to 2022 CODATA internationally recommended values of the Fundamental Physical Constants.
Documents#
SBDocument
New functions: samson.SBDocument.getSelectedNodes().
Color Schemes#
New color schemes:
Color Palettes#
A new default color palette - pLDDT - to colorize based on cofidence of predicted structures: samson.SBPaletteDefaultPalette.flexibleDivergingHCLpLDDT
Model#
Some nodes (models, path, conformation) can now store the source file, which can be shown in the Inspector.
New functionality in samson.SBModel and its derived classes: samson.SBModel.sourceFileName.
Structural Model#
SBStructuralModel
New functionality:
samson.SBStructuralModel.createModel()- creates a new structural model based on SMILES.samson.SBStructuralModel.exportImage()- exports an image based on SMILES.samson.SBStructuralModel.smilesToSVG()- converts a SMILES string into an SVG representation.samson.SBStructuralModel.toSMILES()- converts the given structural model into a SMILES string.samson.SBStructuralModel.toSVG()- converts the given structural model into a 2D SVG representation.samson.SBStructuralModel.isValidSMILES()- checks if a given SMILES string represents a valid molecular structure.
SBConformation
New functionality: samson.SBConformation.sourceFileName.
SBPath
New functionality: samson.SBPath.sourceFileName.
Neighbor Search#
SBNeighborSearchParticleSystemGrid
New functionality: samson.SBNeighborSearchParticleSystemGrid.parallelizationEnabled flag.