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v0.1.0

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@dominiquesydow dominiquesydow released this 08 Sep 19:09
· 270 commits to master since this release
v0.1.0
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Learn about vigilant mode.

First pre-release of the opencadd package with the following submodules:

  • databases.klifs: utilities to query the KLIFS database, offline or online.
  • structure.pocket: identification and analysis of protein (sub)pockets.
  • [WIP] io: read and write molecules from/to files.
  • [WIP] structure.superposition (formerly superposer): superimpose macromolecules using sequence and structural information.
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