Update handling of CCD residue types.#687
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roccomoretti wants to merge 26 commits intoRosettaCommons:mainfrom
Open
Update handling of CCD residue types.#687roccomoretti wants to merge 26 commits intoRosettaCommons:mainfrom
roccomoretti wants to merge 26 commits intoRosettaCommons:mainfrom
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…e letter CCD codes
A better fix of this will be necessary.
Nucleic acids still in progress.
…but getting there.
…edits just to make things not crash.
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Update the list of CCD types to the most recent version, and fix the handling for all (non-obsolete) CCDs such that they don't result in crashes when run through
restype_converter.Note that this doesn't necessarily mean that they're well typed scientifically, or that they won't crash when used, just that they don't crash when they're converted to ResidueType objects.
Other included fixes:
src/core/chemical/AtomICoor.hhwhich speeds up (debug mode) ResidueTypeSet initialization by ~33%.