- Nov 21, 2021
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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.
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- Jan 05, 2021
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Studer Gabriel authored
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- Nov 10, 2020
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Xavier Robin authored
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- Feb 13, 2020
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Bienchen authored
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- Jan 17, 2020
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Andrew Waterhouse authored
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- Nov 27, 2019
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Studer Gabriel authored
Don't ask, just feels better that way
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- Nov 13, 2019
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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
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- Mar 04, 2015
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BIOPZ-Bertoni Martino authored
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- Mar 02, 2015
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Studer Gabriel authored
wrong branch, big sorry This reverts commit e77d08a6.
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Studer Gabriel authored
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- Jan 15, 2013
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Gabriel Studer authored
seems that you have to play with casp structures to produce such errors...
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- Feb 06, 2012
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Bienchen authored
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- Jul 13, 2011
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Pascal Benkert authored
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- Jul 08, 2011
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Marco Biasini authored
While we are in there, also fix BZDNG-235 by checking that DSSP is executable and not a directory and making sure the output file exists before continuing. Conflicts: modules/bindings/pymod/dssp.py
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- Jul 07, 2011
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Pascal Benkert authored
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- May 19, 2011
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Marco Biasini authored
While we are in there, also fix BZDNG-235 by checking that DSSP is executable and not a directory and making sure the output file exists before continuing.
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- Apr 19, 2011
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Marco Biasini authored
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- Apr 26, 2010
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pascal authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2117 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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pascal authored
make dssp platform independent -> use popen.pipes instead of linux-type redirection of stderr/stdout git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2115 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Apr 25, 2010
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marco authored
The old signatures are still available in Python, but produce a deprecation warning. After some time, we will remove the long signatures completely. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2113 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Apr 09, 2010
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pascal authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1959 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Apr 07, 2010
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pascal authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1935 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Apr 06, 2010
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1930 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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