- Nov 22, 2018
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Gerardo Tauriello authored
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- Aug 14, 2018
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- Mar 22, 2018
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Rafal Gumienny authored
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- Feb 27, 2018
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Bienchen authored
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- Jul 28, 2017
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Gerardo Tauriello authored
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- Jun 23, 2016
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Bienchen authored
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- Mar 01, 2016
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Bienchen authored
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- Jul 01, 2015
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Studer Gabriel authored
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- Jun 26, 2015
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Studer Gabriel authored
changes: -GetPrincipalAxes in Vec3List Results with Eigen3 have been verified with 10 randomly picked pdb structures. Differences only occur with changing signs of the vectors. -CalcPrincipalAxis in BoundingBox No difference in algorithm, the SelfAdjointEigenSolver no lives in Eigenvalues. Does in principal the same thing as the function above, just using different functionality. -SVD superposer Unit tests still run through with the changes introduced for Eigen3 and also manual testing seems to work well. -CartoonRenderer Principal axes calculation for rendering helices as cylinders had to be adapted. Rendering looks exactly the same... -SuperposeFrames Not yet tested... ToDo: numeric.h and levenberg_marquardt.h in the img/alg module have to be ported. This will be done in the next few days.
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- May 28, 2015
- May 05, 2015
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Bienchen authored
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- Nov 26, 2014
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BIOPZ-Johner Niklaus authored
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- Sep 15, 2014
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Studer Gabriel authored
OpenMM library run cmake with -DENABLE_MM=1 if you can successfully compile, check out the examples in the modules/mol/mm/examples directory
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- Oct 30, 2013
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Andreas Schenk authored
fixed lddt compilation on Windows removed DLLEXPORTS from pdbsize.cc
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- Oct 27, 2013
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Marco Biasini authored
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- Sep 13, 2013
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Bienchen authored
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- Aug 23, 2013
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Andreas Schenk authored
Refactored FindEigen.cmake to adhere to cmake guidelines Adapted master CMakeLists.txt to changes in find modules
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- Jul 12, 2013
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Bienchen authored
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- Jun 07, 2013
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Valerio Mariani authored
Substitutes DEBIAN_STYLE_LIBEXEC flag and manages location and name of lib and libexec folders on Debian/Ubuntu-based systems
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- May 10, 2013
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Andreas Schenk authored
fix master CMakeLists.txt to only add -Wno-attributes for newer compilers (not all older compilers have that option)
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ansgar authored
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- May 08, 2013
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Ansgar Philippsen authored
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Marco Biasini authored
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- Mar 18, 2013
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- Feb 22, 2013
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Marco Biasini authored
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- Feb 01, 2013
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Andreas Schenk authored
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- Nov 27, 2012
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Marco Biasini authored
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Marco Biasini authored
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- Nov 21, 2012
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Gabriel Studer authored
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- Nov 15, 2012
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- Nov 05, 2012
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Marco Biasini authored
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- Oct 26, 2012
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Bienchen authored
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- Oct 13, 2012
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Marco Biasini authored
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- Sep 13, 2012
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Andreas Schenk authored
added skeleton for Linux deployment with CPack
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- Sep 07, 2012
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Andreas Schenk authored
added CPack configuration to create complete bundle dmg on OSX with "make package"
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- Aug 06, 2012
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Valerio Mariani authored
relative paths
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- Aug 04, 2012
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Marco Biasini authored
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- Jul 26, 2012
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Marco Biasini authored
RuleBased conop is an experimental new interface for processing structures in the conop module. The class exposes a single method Process with takes care of the complete conop procedure. There are still a few methods missing, they will be added shortly.
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