Pre-4.42: Raw data was only partially supported. Some operations (e.g. merging, deletion) required you to normalize data (e.g. unique SMILES) even when it was already normalized.
New 4.42 Features:
- Merging raw data (no normalizations) is allowed. Allows much faster merging of existing databases.
- Thor Toolkit's raw-data "suite" of functions is filled out with three new toolkit functions:
dt_thor_tdtget_raw(3) dt_thor_tdtremove_raw(3) dt_thor_tdtput_raw(3)
- Various programs modified to use new raw-data features (e.g. thorload(1), thordelete(1), sthorman(1)).
Result:
- Much faster database building when data are already normalized.
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