v2.2.0

ComplexMixtures v2.2.0

Diff since v2.1.15

New features

• Add contourf_per_residue function to simplify creation of 2D density maps.

v2.1.15

ComplexMixtures v2.1.15

Diff since v2.1.14

• some small documentation changes

v2.1.14

ComplexMixtures v2.1.14

Diff since v2.1.13

• Improve some docs, add better warning messages for zero sampling and coordination_number_only options.

v2.1.13

ComplexMixtures v2.1.13

Diff since v2.1.12

• Suggest increasing the bin size as well if a random count is found to be zero.

v1.4.4

ComplexMixtures v1.4.4

Diff since v1.4.3

• Suppress CellListMap warning.

v1.4.3

ComplexMixtures v1.4.3

Diff since v1.4.2

• update CellListMap compat entry for legacy support

v2.1.12

ComplexMixtures v2.1.12

Diff since v2.1.11

• Updated the use of CellListMap to the new interface (v0.8.30+).

v2.1.11

ComplexMixtures v2.1.11

Diff since v2.1.10

• Improve error messages and examples of SolventGroup and SoluteGroup docstrings.

v2.1.10

ComplexMixtures v2.1.10

Diff since v2.1.9

• Support path with tilde (expanded automatically to username) on unix systems, on the input of Trajectory, load, save, and write.

v2.1.9

• Add Help! section to the docs.