ReleaseNotes064

Changes

• release 0.6.4
• GRO writer added
• fixed XTC writer (Issue 38)
• convert box representations (Issue 37)
• primitive PDB parser added (slightly faster and ignores correctness of resids, atomnames etc but reads CRYST1 into unitcell)
• Universe gained the permissive flag to switch on the primitive PDB parser/reader
• Simple 'chained reader' which enables a Universe to transparently read a list of trajectory files (Issue 39).
• Additional methods for AtomGroup: numberOfResidues(), resids(), resnames()
• analysis
  • new bilayer analysis script for membrane composition on a per-leaflet basis (examples/membrane-composition.py)
  • renamed examples/leaflet.py to membrane-leaflets.py

Authors

orbeckst, danny.parton