8000 Release ParmEd v4.3.0 · ParmEd/ParmEd · GitHub
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ParmEd v4.3.0

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@swails swails released this 30 Oct 16:54
· 2 commits to master since this release
f82923a

What's Changed

  • Fixed Improper Method Call: Replaced mktemp by @fazledyn-or in #1328
  • Add support for 12-6-4 models. by @swails in #1346
  • Fix wildcard sorting when writing Amber parameter sets (fixes #1347) by @murfalo in #1348
  • Match tleap by ensuring parm{10|99|15}.dat are loaded no more than once by @murfalo in #1353
  • Ignore TURN comments in PDBs by @slochower in #1351
  • fix SyntaxWarning: invalid escape sequence by @njzjz in #1350
  • Fix output of changeLJSingleType by @swails in #1355
  • Bugfixed AtomType equality operator by @murfalo in #1360
  • Fix the build wrt RDKit package issues by @swails in #1370
  • Fixed compatibility with NumPy 2.0+ by @vedranmiletic in #1374
  • Fix serialization of structure with bond type attributes and add test by @swails in #1376
  • Ensure PBC box vectors are in reduced form for OpenMM by @nffaruk in #1368
  • Improve mdin parsing to not split restraintmask fields using '=' wildcard char by @nffaruk in #1369
  • Fix velocity unit scale for existing vels passed to OpenMM by @nffaruk in #1367
  • Switch to non-deprecated miniforge by @swails in #1378

New Contributors

Full Changelog: 4.2.2...4.3.0

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