v1.15.0

MolSimToolkit v1.15.0

Diff since v1.14.0

• Experimental new feature: reweighting of simualtions by perturbations.
• REMD heatmap now uses :bwr color scheme for :relative colorscale option, with white color for 1.0.

Merged pull requests:

• create Resampling function (#6) (@LV-IQ)

v1.14.0

MolSimToolkit v1.14.0

Diff since v1.13.1

New feature

• Methods for analyzing protein secondary structures along trajectories where implemented.

v1.13.1

MolSimToolkit v1.13.1

Diff since v1.13.0

• proper forward of custom kargs in MolSimStyle plotting

v1.13.0

MolSimToolkit v1.13.0

Diff since v1.12.10

New feature

• support for manual molar mass setting in SolutionBoxUSC

v1.12.10

MolSimToolkit v1.12.10

Diff since v1.12.9

• Update CellListMap interface and compat entries.

v1.12.9

MolSimToolkit v1.12.9

Diff since v1.12.8

• merge plotting extensions to avoid circular precompilation.

v1.12.8

MolSimToolkit v1.12.8

Diff since v1.12.7

• fix import/export of center_of_mass

v1.12.7

MolSimToolkit v1.12.7

Diff since v1.12.6

• overload PDBTools.center_of_mass to avoid conflicts

v1.12.6

MolSimToolkit v1.12.6

Diff since v1.12.5

• bug fix: import std in BlockAverages.

v1.12.5

MolSimToolkit v1.12.5

Diff since v1.12.4

• fix overload of heatmap functions