- Nov 18, 2020
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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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B13nch3n authored
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- Nov 09, 2020
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
CMake now takes care of extracting the major, minor and patch version of Python
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Studer Gabriel authored
I assume there was good reason to add it...
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Studer Gabriel authored
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Studer Gabriel authored
- Nov 08, 2020
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Studer Gabriel authored
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Studer Gabriel authored
You might have to adapt CMake flags when building OpenStructure to variables specified here: https://cmake.org/cmake/help/latest/module/FindPython.html
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- Nov 06, 2020
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Studer Gabriel authored
First entry is about adding the -pthread flag to resolve linking problems. Has been observed on the scicore cluster and reported by Yuri (FreeBSD 12.2).
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- Nov 05, 2020
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Studer Gabriel authored
The previously used URLS were redirected to the new ones but redirection is not guaranteed to last indefinitely. related documentation: https://www.rcsb.org/pages/download/http
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Studer Gabriel authored
Unit tests successfully run through with Python 3.9 on Fedora 33 (no GUI)
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- Nov 04, 2020
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Studer Gabriel authored
This caused trouble when switching OpenGL context for offscreen rendering (DNG image export)
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- Nov 02, 2020
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Studer Gabriel authored
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Studer Gabriel authored
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- Oct 28, 2020
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Gerardo Tauriello authored
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- Oct 27, 2020
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Studer Gabriel authored
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- Oct 25, 2020
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Studer Gabriel authored
- Keep track of the membrane facing atoms that contributed to the energy function and map their energies as float properties to the input entity - Don't consider atoms with energy contributions of 0.0 in the optimizer to to speed things up
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- Oct 21, 2020
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Studer Gabriel authored
When exporting the scene for the second time, weird artefacts that looked like shadows occured. The fix enforces to re-allocate the resources of the offscreen QOpenGLContext. Measurements showed that reallocation is much faster than the rate-limiting step of the Export function: dump the file to disk. Performance impact is therefore limited. Feel free to investigate and propose a more elegant fix...
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Gerardo Tauriello authored
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- Oct 15, 2020
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Xavier Robin authored
This bug is triggered only when mappings have the exact same RMSD and python tries to inspect the dictionary for ties. Added test for this specific case.
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- Oct 13, 2020
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Studer Gabriel authored
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- Oct 10, 2020
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Studer Gabriel authored
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- Oct 07, 2020
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Studer Gabriel authored
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Studer Gabriel authored
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- Oct 06, 2020
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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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- Oct 05, 2020
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Studer Gabriel authored
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- Sep 17, 2020
- Aug 28, 2020
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Xavier Robin authored
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- Aug 20, 2020
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B13nch3n authored
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- Aug 06, 2020
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B13nch3n authored
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Studer Gabriel authored
- Jul 31, 2020
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B13nch3n authored
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