- Feb 22, 2023
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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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- Feb 21, 2023
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Studer Gabriel authored
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Studer Gabriel authored
Only the fast residue number alignment has the requirement of no insertion codes and strictly increasing residue numbers.
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Studer Gabriel authored
That was 1) strictly increasing (no idea why it was there in a first place) 2) no ins codes (The residue mapper is a dict which now has actual residue numbers as key - can handle insertion codes)
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Studer Gabriel authored
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- Feb 20, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Feb 17, 2023
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Studer Gabriel authored
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- Feb 16, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Feb 15, 2023
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Studer Gabriel authored
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Xavier Robin authored
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- Feb 10, 2023
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
RepResult was fixed to not throw errors any more
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Xavier Robin authored
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Xavier Robin authored
Conflicts: modules/mol/base/doc/entity.rst
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- Feb 09, 2023
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Xavier Robin authored
The code would previously only consider the last chain mapping in consideration. As a result we find better scores in tests.
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- Feb 08, 2023
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Studer Gabriel authored
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- Feb 07, 2023
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Studer Gabriel authored
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Studer Gabriel authored
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- Feb 06, 2023
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Xavier Robin authored
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Studer Gabriel authored
fnat, lrmsd, irmsd etc. are not strictly DockQ related, they just serve as input for DockQ
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Xavier Robin authored
Raise a ValueError upon initialization.
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- Feb 01, 2023
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Xavier Robin authored
Fixes the SDF reader and documents the convention.
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- Jan 31, 2023
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Studer Gabriel authored
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- Jan 30, 2023
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Xavier Robin authored
Reason is, it's unclear if they are useful anywhere else
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Xavier Robin authored
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Xavier Robin authored
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Bienchen authored
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- Jan 27, 2023
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Xavier Robin authored
Qualified name value is not useful. Plus they are redundant with the details.
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Xavier Robin authored
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- Jan 26, 2023
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Xavier Robin authored
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