- Aug 06, 2020
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B13nch3n authored
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- Jul 20, 2020
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B13nch3n authored
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- Feb 13, 2020
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Bienchen authored
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- Jul 28, 2017
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Gerardo Tauriello 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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- Oct 14, 2012
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Marco Biasini authored
Fixes BZDNG-416
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- Jul 27, 2012
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Ansgar Philippsen authored
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Ansgar Philippsen authored
the internal representation of a transformation for EntityImpl was changed from Mat4 to Transform in preparation for adding transformations to entity views; this impacts quite a few higher-level routines that used the transformation matrix, which now can use the more elegant Transform::Apply method instead; GetTransformationMatrix and IsTransformationIdentity methods in the EntityHandle interface are marked as deprecated; use GetTransform and HasTransform instead. In addition, there is a ClearTransform method which ensures that the internal has_transform flag gets set to false geom::Transform was extended to offer ApplyInverse, and matrix inversion exceptions are handled internally constructing a Vec3 from a Vec4 no longer throws a DivideByZero error when w is close to zero, instead it is silently assumed that this is not a true homogeneous coordinate conversion as an additional comment (and note to self), atom->GetPos always returns transformed positions; however, GetAltPos returns original positions, and original positions are also stored in the AtomGroup on the Impl level. Both the mol unit test as well as the PDB writer expect this behavior; the PDB writer applies the transform after calling GetAltPos. Commented code is in place now to change this behavior, i.e. have GetAltPos return transformed positions, making it consistent with GetPos, should this be desired.
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- Jul 26, 2012
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studga00 authored
behaviour in GaussianSmooth function in table class
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Gabriel Studer authored
to the editor. still messy and no unit tests...
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- Feb 22, 2012
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Gabriel Studer authored
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- Feb 07, 2012
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Niklaus Johner authored
to check for breaking of the in_sequence property. Added an SetInSequence() function to the ChainHandle to check and update the in_sequence property
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- Aug 09, 2011
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Marco Biasini authored
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- Aug 02, 2011
- Jul 28, 2011
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Bienchen authored
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- Mar 21, 2011
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Marco Biasini authored
Previously we were returning the wrong index for residues in chains that contained a certain residue number more than once. We were always returning the index of the first residue. Among other things, this fixes BZDNG-229.
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Marco Biasini authored
Previously we were returning the wrong index for residues in chains that contained a certain residue number more than once. We were always returning the index of the first residue. Among other things, this fixes BZDNG-229.
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- Feb 21, 2011
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Marco Biasini authored
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Marco Biasini authored
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Marco Biasini authored
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- Jul 31, 2010
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Ansgar Philippsen authored
added QueryFlags handling to mol::QueryViewWrapper fixed empty pov output (caused by multiple renderer problem in gfx::Entity impl) removed GLEW_VERSION_2_0 tokens various tiny gfx tweaks added stereo toggling key to gui ('=') added residue reordering to mol::EntityEditor
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- Jul 05, 2010
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marco authored
GetGeometricStart()/GetGeometricEnd() has been deprecated and will be removed sooner or later. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2501 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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- Feb 26, 2010
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1742 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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