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@fgrunewald fgrunewald released this 05 Apr 14:30
· 495 commits to master since this release
v0.7.3
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Learn about vigilant mode.

This release implements some performance enhancements, small bug fixes and updated API.

Performance Improvements:

  • accelerated making of residue graphs related to issue #379
  • accelerated parsing of itp files related to issue #377
  • accelerated mapping of molecules related to issue #408

Bug Fixes:

  • itp reader now reads virtual_sites1 and settle directives
  • itp reader can handle #else statements

API Updates:

  • the deferred file writer doesn’t overwrite the built-in open anymore instead now we expose deffered_open
  • the PDB writer gets a new flag ‘defer_writing’ that either uses the deferred file writing or just regular file writing

Dependency Updates:

  • Martinize2 now supports the latest version of Sphinx
  • Martinize2 now runs with the latest version of pylint
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