- Jul 07, 2015
- Jul 03, 2015
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Studer Gabriel authored
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- Jul 01, 2015
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Studer Gabriel authored
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Studer Gabriel authored
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- Jun 30, 2015
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Studer Gabriel authored
The old and the new version have both been applied to roughly 200 real world minimization problems (minimizing energy function to detect membranes in QMEANBrane). The differences are marginal and within the expected range, since the internal SVD algorithm in eigen has changed.
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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 29, 2015
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Bienchen authored
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- May 28, 2015
- May 20, 2015
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Studer Gabriel authored
When an atom gets deleted, all related torsions get deleted from the entities TorsionImplMap. The ResidueHandles keep their own vector of the same TorsionHandles. If an atom gets deleted, only the internal torsion list of the corresponding residue got updated. This had to be extended to all residues containing torsions related to the deleted atom.
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- May 18, 2015
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Studer Gabriel authored
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Studer Gabriel authored
export them to Python
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- May 15, 2015
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BIOPZ-Johner Niklaus authored
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- May 13, 2015
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BIOPZ-Johner Niklaus authored
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BIOPZ-Johner Niklaus authored
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- May 07, 2015
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Studer Gabriel authored
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Studer Gabriel authored
some typos
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Studer Gabriel authored
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- May 06, 2015
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Studer Gabriel authored
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Studer Gabriel authored
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- May 05, 2015
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Studer Gabriel authored
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Studer Gabriel authored
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- May 04, 2015
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Studer Gabriel authored
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- Apr 30, 2015
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
an entry page for the mm module
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- Apr 29, 2015
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
not only check for the number of bond partners, but also whether there is an atom called SG in the bonded atoms.
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- Apr 28, 2015
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
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