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  1. Nov 21, 2021
    • Studer Gabriel's avatar
      Deprecate calling external dssp program · 034099f1
      Studer Gabriel authored
      Support for DSSP 4.0 (https://github.com/PDB-REDO/dssp) has been
      enabled in commit da57a1f6.
      This worked if CLIBD_MON env var points to some CCP4 related
      compound library. In the example of dssp shipped with Debian
      bullseye, that's not the case. The observation there:
      It works if applied on a PDB file downloaded from RCSB with all bells
      and whistles but it doesn't work if only the fix from the above commit
      is applied. As OpenStructure implements all functionality from DSSP
      (secondary structure and solvent accessibility), the binding to an
      external program has been deprecated. dssp.AssignDSSP still exists,
      but mimics the old behaviour using OpenStructure internal implementations.
      034099f1
  2. Jan 05, 2021
  3. Nov 10, 2020
  4. Feb 13, 2020
  5. Jan 17, 2020
  6. Nov 27, 2019
  7. Nov 13, 2019
    • Studer Gabriel's avatar
      Initial Python 3 port commit · 6e60b71d
      Studer Gabriel authored
      This commit doesn't make OpenStructure work with Python 3. The goal of this
      commit was to perform an automated port of the Python code and make it compile.
      The performed steps:
      
      - Edited CMakeLists.txt to search for Python with 3.6 as min version 3.6 is the
        Python version shipped by default with Ubuntu 18.04 LTS
      - Add version 3.6 to cmake_support/FindPython.cmake
      - Adapt setup_boost macro in cmake_support/OST.cmake to prefer versioned
        libraries and not first check for boost_python.so. In the example of
        Ubuntu 18.04, libboost_python.so is specific for Python 2 but
        libboost_python3.so is the one we want.
      - apply the following command: 2to3-2.7 -n -w <OST_DIR>
      - adapt base/pymod/wrap_base.cc, gui/pymod/wrap_gui.cc and
        gui/pymod/export_message_widget.cc as PyString functionalities do not exist
        anymore in the Python 3 interpreter (replaced by PyUnicode)
      - adapt gui/src/python_shell/python_interpreter_worker.hh to resolve issue
        discussed in https://stackoverflow.com/questions/23068700/embedding-python3-in-qt-5
        Long story short: Qt does a typedef for "slots" which causes trouble with
        other headers that are pulled in from the Python interpreter
      6e60b71d
  8. Mar 04, 2015
  9. Mar 02, 2015
  10. Jan 15, 2013
    • Gabriel Studer's avatar
      fixed typo · fd71ad96
      Gabriel Studer authored
      seems that you have to play with casp structures to produce such errors...
      fd71ad96
  11. Feb 06, 2012
  12. Jul 13, 2011
  13. Jul 08, 2011
  14. Jul 07, 2011
  15. May 19, 2011
  16. Apr 19, 2011
  17. Apr 26, 2010
  18. Apr 25, 2010
  19. Apr 09, 2010
  20. Apr 07, 2010
  21. Apr 06, 2010
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