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v0.2.1 Bug fixes and increased performance

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@douweschulte douweschulte released this 13 Jan 22:56
· 372 commits to master since this release
b96822d
  • Exported save_raw was created in v0.2.0 but not accessible
  • Added ENDMDL records after model definitions while saving making saved ensemble files valid in other software
  • Extended warnings for validation of ensemble files, it will now generate a LooseWarning if HETATMs do not correspond
  • Changed the implementation of the .remove_*_by functions to be 75% faster