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[pull] master from nglviewer:master #73

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merged 7 commits into from
Oct 22, 2023
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fredludlow and others added 7 commits March 21, 2023 17:50
The PDB format is unusual in that some bonds are implicit, but CONECT
records can be used to describe bonding (particularly for het groups).
Automatically detecting bonds when CONECT records are missing is
a useful behaviour, but for particularly unusual geometries it may not
get it right. The `inferBonds` parameter can take values:

`all` - Use explicit bonds (from CONECT) AND infer based on distance
`auto` - Residues with explicit bonds will not have bonds inferred,
         other residues will
`none` - Don't do any distance-based bonding
inferBonds mode to only consider het groups (always bond regular
residues even if they have a CONECT record as CONECT records may
be used for disulfide bonds or covalent functionalisation)
@pull pull bot added the ⤵️ pull label Oct 22, 2023
@pull pull bot merged commit 2011e08 into bgruening:master Oct 22, 2023
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2 participants