- 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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- 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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- Mar 02, 2023
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Studer Gabriel authored
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Studer Gabriel authored
In principle we have three types of structures in the scorer (terrible I know). 1) the actual strucures that are only molcked 2) the structures as they are used in the chain mapper (complete backbone) 3) same as 1) but stereochecked. The alignments required at this position are of category 3 but they were 2.
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Xavier Robin authored
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Studer Gabriel authored
This code is considered deprecated as of release 2.4.0. The new lDDT implementation has already been integrated into qsscoring.py/compare-structures. I prefer to leave this completely legacy.
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Studer Gabriel authored
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- Mar 01, 2023
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Studer Gabriel authored
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