- Jan 26, 2023
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Xavier Robin authored
Also export the attributes where needed.
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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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- Jan 25, 2023
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Studer Gabriel authored
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Studer Gabriel authored
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- Jan 24, 2023
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Xavier Robin authored
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Studer Gabriel authored
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- Jan 23, 2023
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Studer Gabriel authored
So far, the Scorer object only relied on the number of chains in the target to decide whether to enumerate the full chain mapping solution space or apply a heuristic. The number of chains in the model is equally important.
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Studer Gabriel authored
Nonsense results in that context means that the model does not cover the desired substructure in target.
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Studer Gabriel authored
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Studer Gabriel authored
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- Jan 22, 2023
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Studer Gabriel authored
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- Jan 18, 2023
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Studer Gabriel authored
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Bienchen authored
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Studer Gabriel authored
The default is to rely on residue numbers for ref/mdl residue mapping
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Studer Gabriel authored
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Studer Gabriel authored
A new entity with new residue numbers is constructed for scoring
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Studer Gabriel authored
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Studer Gabriel authored
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- Jan 17, 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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Xavier Robin authored
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Xavier Robin authored
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- Jan 13, 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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- Jan 05, 2023
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Andrew Waterhouse authored
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- Jan 03, 2023
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Studer Gabriel authored
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- Jan 01, 2023
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Studer Gabriel authored
A few bytes can be squeezed out of secondary structures by using runlength encoding and transform to integer numbers 0,..7 instead of using the actual ASCII characters. An even more funky approach has been tried: introduce 4 bit integers which is sufficient to encode secondary structures. Two of them can be packed together in a 8 bit integer with some bit twiddling. File sizes decreased as expected (roughly 3% with respect to original size). However, after entropy compression, that advantage diminished, i.e. the simple run length encoding and dumping as 8bit integers compresses better. Assuming the application of gzip as the common use case, the 4bit version was dumped. Even though it was pretty cool ;)
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- Dec 23, 2022
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Xavier Robin 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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