CSD Search
This directory contains 4 workflows.
CCDC CSD Author Search
Searches the CSD for one or more author names. If multiple author names are supplied, they must all be present (i.e. they are AND'd together). If the […]
CCDC CSD Chemical Name Search
Searches the CSD for a chemical name. If the 'Ignore non-alphabetic characters' option is checked (default is unchecked), the search will ignore […]
CCDC CSD Similarity Search
This component performs a CSD similarity search on input structures, which can be in either MOL or MOL2 format. The column containing the queries is […]
CCDC CSD Substructure Search
This component performs a CSD substructure search on input structures, which must be in MOL format. The matched substructure is higlighted in the output […]