- 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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Studer Gabriel authored
If fault_tolerant is enabled, it might happily read a cif file as PDB file. As a consequence, there are no residues in the returned entity.
- Sep 16, 2021
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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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- Sep 15, 2021
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Studer Gabriel authored
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Studer Gabriel authored
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- Aug 18, 2021
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Studer Gabriel authored
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Studer Gabriel authored
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- Jul 30, 2021
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Studer Gabriel authored
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- Jul 15, 2021
- Jul 01, 2021
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Studer Gabriel authored
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- Jun 30, 2021
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Studer Gabriel authored
QT5 may cause hard to interpret import errors on older Linux kernels: https://bbs.archlinux.org/viewtopic.php?id=232682
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- Jun 17, 2021
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B13nch3n authored
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- May 10, 2021
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Ariadni Boziki authored
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- May 07, 2021
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Studer Gabriel authored
Otherwise it will fail if you provide a non-absolute working directory
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Studer Gabriel authored
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Studer Gabriel authored
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- May 06, 2021
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Studer Gabriel authored
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- May 05, 2021
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Studer Gabriel authored
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Studer Gabriel authored
Can either be pushed to standalone internal file format or serve as starting point for MMTF / binaryCIF implementation in OST. The stored data is kind of similar...
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- Apr 30, 2021
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Studer Gabriel authored
same as commit 69f90c46
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- Mar 24, 2021
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Studer Gabriel authored
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Studer Gabriel authored
makes it easier to re-use elsewhere
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Studer Gabriel authored
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- Feb 20, 2021
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Bienchen authored
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- Feb 09, 2021
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Studer Gabriel authored
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- Feb 03, 2021
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Studer Gabriel authored
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- Jan 05, 2021
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Studer Gabriel authored
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Studer Gabriel authored
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- Dec 30, 2020
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Studer Gabriel authored
The test_Interpolate unit test has been reported to fail when executed on different platforms (arm64 in this case).
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Studer Gabriel authored
The test_simulation_energy_calculations unit test compares the potential energy of crambin after 200 steps steepest descent with a reference value. Depending on OpenMM version / hardware, we might get slight differences that propagate through the minimization.
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- Dec 11, 2020
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Gerardo Tauriello authored
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Xavier Robin authored
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