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Ensure compatibility with Biotite 0.37 #9
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Due to the issue, that the build environment could not find Cargo
Preindexing is only compatible with the upcoming Biotite version
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The upcoming version of Biotite will index model start lines and atom records in
PDBFile
to avoid repetitive searches for such records in the file. This PR adapts the indexing tofastpdb.PDBFile
. More precisely it adds themodel_start_i
andatom_line_i
fields to thePDBFile
struct and uses them throughout the code.Furthermore, the bond parsing is refactored: Known bond orders are not converted to
BondType.ANY
anymore.