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schwede
openstructure
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54bedc12
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54bedc12
authored
9 years ago
by
Gerardo Tauriello
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update changelog for dependencies and ProfileHandle
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CHANGELOG.txt
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54bedc12
Changes in Release 1.5
--------------------------------------------------------------------------------
* Wrapper for OpenMM. This allows for direct access to molecular
mechanics functionality from within OST.
* Updated dependencies (Eigen2 to Eigen3, Boost 1.47 to 1.53)
* Wrapper for OpenMM. This allows for direct access to molecular mechanics
functionality from within OST.
* The compoundslib now features InChI and InChIKeys (machine readable InChI
hash)
* Names of compounds are also stored in the compoundslib now
* Added seq.ProfileHandle class and io.LoadSequenceProfile to work with
sequence profiles.
Changes in Release 1.4
--------------------------------------------------------------------------------
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