- Feb 17, 2025
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Studer Gabriel authored
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- Jun 12, 2024
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Studer Gabriel authored
Parasail: https://github.com/jeffdaily/parasail It's faster than the pairwise sequence algorithms we have in OpenStructure. However, the main reason to check out another solution is the fact that OpenStructure may return suboptimal alignment results. This is a result of how the dynamic programming table is built. If for a certain cell in the dynamic programming table a match state and insertion state score equally, match is preferred. There is a chance that we would get a better score later on if we would stick with the insertion state (gap open penalties vs. gap extension penalties). Not sure if this will be fixed in the near future.
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- Apr 05, 2024
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Studer Gabriel authored
Numpy support in C++ enabled features at two points: Efficient way of setting positions in entity handles or setting meshes in gfx.PrimList. Support for newer numpy versions would've required an effort to implement. As far as I know, no one uses these features (fingers crossed) so let's just dump numpy alltogether to simplify the build system.
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- Nov 28, 2023
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Xavier Robin authored
This updates the module versions to match the versions we currently use for the OST module on sciCORE.
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- May 11, 2023
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Xavier Robin authored
This sets up the compound lib upon calling import ost. It simplifies the ost_startup.py script accordingly. It is now possible to override the compound lib with an environment variable: OST_COMPOUNDS_CHEMLIB
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- Jan 26, 2022
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B13nch3n authored
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- Jan 25, 2022
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B13nch3n authored
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- Jan 24, 2022
- Oct 26, 2021
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Studer Gabriel authored
Versions are updated to what the mighty Schwede lab uses in production
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Studer Gabriel authored
Compilation was broken for years when IMG has been disabled. IMG is now always built.
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- Nov 10, 2020
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B13nch3n authored
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- Nov 09, 2020
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Studer Gabriel authored
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- Nov 08, 2020
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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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- Jul 31, 2020
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B13nch3n authored
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- Jul 27, 2020
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Studer Gabriel authored
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- Jul 23, 2020
- Jul 17, 2020
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B13nch3n authored
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- Jul 13, 2020
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B13nch3n authored
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- Jul 09, 2020
- Jun 15, 2020
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B13nch3n authored
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- Mar 02, 2020
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Bienchen authored
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- Feb 24, 2020
- Feb 19, 2020
- Feb 17, 2020
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Bienchen authored
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- Feb 05, 2020
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Gerardo Tauriello authored
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- Dec 17, 2019
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Studer Gabriel authored
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- Dec 08, 2019
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Studer Gabriel authored
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- Dec 02, 2019
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Gerardo Tauriello authored
As weird as it sounds but the proper var. to set is PNG_PNG_INCLUDE_DIR instead of PNG_INCLUDE_DIR. The latter is overwritten by FindPNG and actually obsolete (see https://github.com/Kitware/CMake/blob/master/Modules/FindPNG.cmake).
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- Aug 12, 2019
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Gerardo Tauriello authored
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- Aug 05, 2019
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Bienchen authored
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- Jul 02, 2019
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Gerardo Tauriello authored
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Bienchen authored
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- Jul 01, 2019