@cxhernandez cxhernandez released this Sep 6, 2018 · 14 commits to master since this release

Assets 2

We're pleased to announce the release of MDTraj 1.9.2. This version has a number of bug fixes and improvements for trajectory parsing and conversion.

  • Fix bug in TINKER ARC reader (#1371)
  • Improved mdconvert error message (#1368)
  • Striding relative to current position in XTC and TRR (#1364)
  • Return last successful read frame for DCD (#1358)
  • Handle stride like numpy for DCDs (#1352)
  • Fix pickling of virtual site's element field (#1350)
  • Compile geometry extension with OpenMP (#1349)
  • Ensure correct dtype in neighborlist box vectors (#1344)
  • Added support for prm7 topology file extension (#1334)
  • Added efficient stride handling fo TRR (#1332)
  • Use byte offsets between frames for stride of XTCs (#1331)
  • Updated the calculation of chi5 (#1322, #1323)
  • Added testing against conda-forge channel (#1310)
  • Port OpenMM bond order representation into MDTraj. Implements the Bond class to Topology and updates the Mol2 reader to use bond_order field (#1308)