LiPyphilic CHANGELOG

0.10.0 (2021-12-29)

  • PR89 Delete temporary files created by tests

  • PR88 Use GitHub Actions for running tests rather than Travis.

  • PR#86 Add option to SCC.project_SCC to not unwrap lipids before calculating their center of masses

0.9.0 (2021-09-02)

  • PR#78 Min MDAnalysis version increased to 2.0

0.8.0 (2021-07-31)

  • PR#74 Add the triclinic_to_orthorhombic transformation in order to support analysis of triclinic systems

0.7.0 (2021-07-03)

  • PR#70 Remove support for Python 3.6

  • PR#69 Change MSD lagtimes to be in ns rather than ps. Fix nojump unwrapping for the first frame.

0.6.3 (2021-05-09)

  • PR#60 AssignLeaflets and AssignCurvedLeaflets inherit from shared leaflet analysis base class

  • PR#59 Ensure SCC.weighted_average can handle different sized sn1 and sn2 residue groups.

  • PR#56 Update docs

0.6.2 (2021-04-18)

  • PR#54 Fixed typos in docs

  • PR#53 Improved performance of lipyphilic.lib.flip_flop.FlipFlop

  • PR#52 Improved performance of lipyphilic.lib.neighbours.Neighbours (Fixes #51)

0.6.1 (2021-04-16)

  • PR#49 Add min_diff argument to transformations.center_membrane

  • PR#48 Add MDAnalysis badge to README and fix typos in the docs

  • PR#47 Fixed typos in docs

0.6.0 (2021-03-26)

  • PR#44 Refactor the Registration analysis to have a more useful API

  • PR#43 Add a method for calculating the lipid enrichment/depletion index

  • PR#42 Add a MSD and lateral diffusion analysis, as well as a transformation to perform “nojump” unwrapping.

  • PR#39 Add support for assigning lipids to leaflets of highly curved membranes

0.5.0 (2021-03-16)

  • PR#38 Add a trajectory transformation for unwrapping broken membranes (Fixes #37)

  • PR#36 Add method for projecting areas onto the membrane plane (Fixes #33)

  • PR#35 Added a tool for calculating membrane thickness (Fixes #34)

  • PR#32 ZThickness.average() now returns a new ZThickness object rather than a NumPy array

  • PR#31 SCC.weighted_average() now returns a new SCC object rather than a NumPy array

  • PR#30 Add class for plotting projections of membrane properties onto the xy plane.

  • PR#29 Added plotting of joint probability distributions or PMFs (Fixed #28).

0.4.0 (2021-03-05)

  • PR#26 Added a tool to calculate the thickness of lipids or their tails (Fixes #25)

  • PR#24 Added a tool to calculate the coarse-grained order parameter (Fixes #23)

  • PR#22 Added a tool to calculate orientation of lipids in a bilayer (Fixes #20)

  • PR#21 Added a tool to calculate lipid height in a bilayer (Fixes #19)

  • Better description of analysis tools in the docs

  • Updated installation instructions, including installing via conda-forge

0.3.2 (2021-02-27)

  • Fix typo in requirements

0.3.1 (2021-02-27)

  • Add support for numpy 1.20

0.3.0 (2021-02-26)

  • Fix neighbour calculation for non-sequential residue indices Fixes #11

  • Added a tool to calculate interleaflet registration

0.2.0 (2021-02-23)

  • Improved documentation

  • Add method to count number of each neighbour type

  • Add functionality to find neighbouring lipids

0.1.0 (2021-02-17)

  • Add functionality to find flip-flop events in bilayers

  • Add functionality to calculate area per lipid

  • Add functionality to find assign lipids to leaflets in a bilayer

0.0.0 (2021-02-08)

  • First release on PyPI.