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3.0.1 (2020-07-03)
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@sobolevnrm sobolevnrm released this 21 Dec 00:10
· 473 commits to master since this release
v3.0.1
248970e
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Additions

  • Added ability to read mmCIF files.

Fixes

  • Updated URL used to fetch PDB files from RCSB.
  • Fixed naming error for CYS hydrogen.
  • Replaced Python pickle with portable JSON.
  • Fixed packaging problem

Changes

  • Upgraded to Python 3.
  • Upgraded web interface.
  • Upgraded to PROPKA 3.1 (and converted to :mod:pip dependency rather than submodule).
  • Removed PDB2PKA support.
  • Removed support for extensions.
  • Significant code refactoring.
  • Changed output from print to logging.
  • Provided additional warnings when dropping HETATM entries.
  • Improved build system.
  • Increased list of proteins used in testing.
  • Removed Opal support.
  • Added GitHub actions for continuous integration testing.
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