ReleaseNotes073

Oliver Beckstein edited this page Sep 26, 2015 · 3 revisions

Changes

  • 0.7.3 release

Removals

  • completely removed the old core.rms_fitting module (and thus we also do not depend on the LAPACK library anymore, which should simplify installation); use the functions accessible through MDAnalysis.analysis.align (which are faster and use QCPROT)

Enhancements

Change of behaviour

Fixes

  • fixed alignto() (raised KeyError)
  • fixed Issue 57 (check for illegal coordinates when writing PDB and GRO)
  • use spaces everywhere and no TABs and tell emacs and vim to keep it that way (Issue 69)
  • fixed Issue 70 (problems with instant atom selections)

Authors

orbeckst, jandom, Benjamin Hall, Paul Rigor, dcaplan, Christian Beckstein (logo), denniej0

Project Information

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GNU GPL v2 code license
Labels: python, molecular dynamics, analysis, DCD, CHARMM, LAMMPS, NAMD, Gromacs, computer simulation, atoms, coordinates, trajectory, XTC, Library, object-oriented
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