- Jul 10, 2023
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Studer Gabriel authored
If enabled, the greedy extension only checks chains which have at least 3 contacts in trg/mdl towards the already mapped chains where contact is defined as CB distance < 8A.
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- Jul 07, 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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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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Xavier Robin authored
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- Jul 06, 2023
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Xavier Robin authored
This should prevent any further "substructure has residue [...] which is not in self.target" errors. Add test and doc to clarify what we ignore.
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Xavier Robin authored
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- Jul 05, 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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- Jul 03, 2023
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Xavier Robin authored
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Xavier Robin authored
This fixes a problem where ties aren't being resolved correctly
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- Jun 29, 2023
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Xavier Robin authored
This improves error messages when the counts line is invalid and the calls to substr() return raw C++ errors.
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Studer Gabriel authored
comes at limited additional runtime costs
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- Jun 28, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Jun 27, 2023
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Studer Gabriel authored
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- Jun 23, 2023
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Studer Gabriel authored
trust me, its a bit better that way...
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Studer Gabriel authored
Apply crude collision detection to avoid pairwise distance computations between chains that are far apart.
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- Jun 20, 2023
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Studer Gabriel authored
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Studer Gabriel authored
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- Jun 19, 2023
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Bienchen authored
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- Jun 15, 2023
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Studer Gabriel authored
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Xavier Robin authored
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Xavier Robin authored
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- Jun 12, 2023
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Xavier Robin authored
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- Jun 06, 2023
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Michele Leemann authored
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- Jun 05, 2023
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- Jun 02, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Jun 01, 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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