Releases: MDAnalysis/solvation-analysis
Releases · MDAnalysis/solvation-analysis
v0.1.4
Residence and Networking modules added to analysis_library.py
v0.1.3
Added two new tutorials and fixed an outstanding bug.
This release will also mint a Zenodo DOI.
v0.1.2-beta
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
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
First release to pip to conclude GSoC.
v0.1.1
First release on pip.