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Commits on Aug 23, 2022

• Fixed JSON formatting issues in solvation scoring function

  sunhwan

  committed
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• Added JSON serialization to most classes

  MrDuck128

  committed
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Commits on Aug 22, 2022

• Dereferenced pointer for logging

  vedranmiletic

  committed
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• Removed extra closing bracket

  vedranmiletic

  committed
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Commits on May 10, 2022

• Updated website URL in source code

  vedranmiletic

  committed
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Commits on Apr 26, 2022

• Added rationale for using Meson to Build system docs

  vedranmiletic

  committed
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• Expanded Quick and dirty installation docs with tutorial

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  Patrik Nikolić

  committed
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Commits on Dec 7, 2021

• Replaced custom configuration format with JSON-based

  

  Vedran Miletić

  committed
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Commits on Dec 5, 2021

• Added simple multiprocessing wrapper for rxcmd

  

  Vedran Miletić

  committed
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Commits on Jun 9, 2021

• Added a wide version of the logo

  

  Vedran Miletić

  committed
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Commits on Jun 8, 2021

• Added an assert to avoid null pointer dereference in Restart test

  

  Vedran Miletić

  committed
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Commits on Jun 4, 2021

• Replaced boolean asserts in tests with more informative ones

  

  Vedran Miletić

  committed
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Commits on Mar 31, 2021

• Const'd all static std::strings

  

  Vedran Miletić

  committed
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Commits on Dec 9, 2020

• Converted data/Elements.dat to a JSON-formatted file

  

  Vedran Miletić

  committed
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Commits on Oct 26, 2020

• Added compatibility with old style Rbt* SF and SiteMapper classes

  

  zebastian

  authored and

  Vedran Miletić

  committed
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• Fixed missing "what" message for derived Error classes

  

  zebastian

  authored and

  Vedran Miletić

  committed
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Commits on Oct 24, 2020

• Handled error exit from rxcmd subcommands dock and cavity-search

  

  zebastian

  authored and

  Vedran Miletić

  committed
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Commits on Oct 18, 2020

• Added .gitignore

  

  Vedran Miletić

  committed
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• Updated dependencies (subproject WrapDB files)

  

  zebastian

  authored and

  Vedran Miletić

  committed
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Commits on Sep 15, 2020

• Bumped Eigen wrap to 3.3.7-3

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  jon-turney

  authored and

  Vedran Miletić

  committed
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Commits on Aug 19, 2020

• Prefixed with rxdock. and lowercased scoring function names

  

  Vedran Miletić

  committed
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Commits on Aug 15, 2020

• Replaced rbcavity and rbdock with equivalent rxcmd commands

  

  Vedran Miletić

  committed
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Commits on Aug 14, 2020

• Introduced public API and started developing CLI using it

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  Vedran Miletić

  committed
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Commits on Aug 12, 2020

• Added quote printing function, will be used by future CLI

  

  Vedran Miletić

  committed
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• Moved symbol export macros from Rbt.h into a separate header

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  Vedran Miletić

  committed
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Commits on Aug 6, 2020

• Added generation of the pkg-config file for librxdock

  

  Vedran Miletić

  committed
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• Enabled header installation

  

  Vedran Miletić

  committed
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• Updated include directives to use full header path

  

  Vedran Miletić

  committed
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• Removed obsolete build and documentation files

  

  Vedran Miletić

  committed
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• Moved files around

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  Vedran Miletić

  committed
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Commits on Aug 3, 2020

• Replaced logging cout statements with Loguru macros

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  Vedran Miletić

  committed
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Commits on Jul 30, 2020

• Added building and installation instructions

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  Vedran Miletić

  committed
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Commits on Jul 28, 2020

• Replaced custom binary (de)serialization with JSON-based

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  Vedran Miletić

  committed
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Commits on Jul 26, 2020

• Introduced rxdock prefix for some Model data values

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  Vedran Miletić

  committed
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Commits on Jul 25, 2020

• Changed rxdock::Error to inherit from std::exception

  

  Vedran Miletić

  committed
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