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MDAnalysis v0.16.1 release!
release date: 06/03/17
- Universe now works with StringIO objects for topologies and trajectories.
- Residues with the same residue ids are not merged by default now (apply to PDB, GRO) (Issue #1306)
- Improved print to screen format in waterdynamics module (using ProgressMeter).
- PQRParser now treats insertion codes properly (Issue #1317)
- made online docs responsive with the Alabaster Sphinx theme (#378)
- In Universe.transfer_to_memory(): dt is now adjusted with step (Issue #1310)
- Various documentation sphinx errors (PR #1312)
- Bugfix in confdistmatrix.get_distance_matrix; now works on all trajectory types. (issue #1324)
- Fixed bug "no molecules in water selection" in waterdynamics analysis module.
- Fix hbond_analysis cannot deal with Universe where no two atoms are with 3A. (PR #1325)
- Fix PDBParser docs for conect (issue #1246)
- Fixed bug where amber topology files would fail to load if number of atoms was exactly divisible by number of atoms per line (issue #1331)
- Fixed incorrect handling of residue names with trailing numbers in HydrogenBondAnalysis (issue #801)
- Fixed AnalysisBase class provides numerical start,stop,step values (PR #1340)
- Fixed PSFParser not creating multiple residues for identical resids in different segments. (Issue #1347, PR #1348)
- Add the OC1 and OC2 from amber99sb-ildn to hydrogen bond acceptors (issue #1342)
- Fix RMSF run return value (PR #1354)
- Fixed documentation in pca (Issue #1378 PR #1379)
- Enable various pylint warnings to increase python 3 compatibility
- Change Mathjax cdn (Issue #1313)
- Change mass_weight to weights for PSA analysis
- Move mass_weights deprecation to version 0.18
- Docs moved to http://docs.mdanalysis.org (Issue #1315) and made responsive (Alabaster theme with readable-sphinx CSS) (Issue #378)
- speed improvements parsing PDB / PDBQT / PQR / XYZ coordinate reader (Issue #1308)
utkbansal, kain88-de, xiki-tempula, kaplajon, wouterboomsma, richardjgowers, Shtkddud123, QuantumEntangledAndy, orbeckst, kaceyreidy