- Mar 16, 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
This may be necessary in case SDF ligands have the same chain/residue number, which can happen with some input.
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- Mar 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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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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- Mar 10, 2023
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Xavier Robin authored
This should clarify what the binding site.
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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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- Mar 09, 2023
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Studer Gabriel authored
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Studer Gabriel authored
Enables the full scoring experience with CAD score
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Studer Gabriel authored
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Studer Gabriel authored
- Tell the user that biounit indices are 0-based - More info in output on what chains are actually processed
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Studer Gabriel authored
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Studer Gabriel authored
Corrupt residues may have some properties missing => Select("peptide=true") may give an empty view.
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Studer Gabriel authored
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Studer Gabriel authored
Avoids issues in query language when funky characters appear in chain names
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Xavier Robin authored
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Xavier Robin authored
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Studer Gabriel authored
The previous error was a selection statement with no obvious connection to that problem. Default minimum lengths are 10 for peptide chains and 4 for nucleotide chains
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- Mar 07, 2023
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Studer Gabriel authored
- Mar 06, 2023
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
AFDB v4 files are invalid as there is a mismatch between _citation.id ("primary") and _citation_author.citation_id ("1"). This can now be read by setting fault_tolerant=True. In this case, a warning is logged and no authors are set.
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Xavier Robin authored
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Studer Gabriel authored
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- Mar 05, 2023
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Studer Gabriel authored
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- Mar 03, 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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Xavier Robin authored
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Xavier Robin authored
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Studer Gabriel authored
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