Skip to content

Releases: MDAnalysis/solvation-analysis

v0.1.4

28 Jun 19:43
fd9dbd5
Compare
Choose a tag to compare

Residence and Networking modules added to analysis_library.py

v0.1.3

17 Mar 15:52
b462ca6
Compare
Choose a tag to compare

Added two new tutorials and fixed an outstanding bug.

This release will also mint a Zenodo DOI.

v0.1.2-beta

23 Sep 17:51
Compare
Choose a tag to compare

New functionality:

  • co-occurrence matrix calculation and plotting
  • identify types of coordinating atoms
  • find percentage of free solvent

Bug fixes:

  • all AtomGroup.ids and ResidueGroup.resids changed to AtomGroup.ix and ResidueGroup.resindices

v0.1.2

23 Sep 18:10
Compare
Choose a tag to compare

New functionality:

  • co-occurrence matrix calculation and plotting
  • identify types of coordinating atoms
  • find percentage of free solvent

Bug fixes:

  • all AtomGroup.ids and ResidueGroup.resids changed to AtomGroup.ix and ResidueGroup.resindices

v0.1.1-alpha

19 Aug 17:20
Compare
Choose a tag to compare

First release to pip to conclude GSoC.

v0.1.1

19 Aug 19:06
Compare
Choose a tag to compare

First release on pip.