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Compare molecules using InChI (k)

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Copy raw text (copy)ΒΆ

A utility format for exactly copying the text of a chemical file format

This format allows you to filter molecules from multimolecule files without the risk of losing any additional information they contain, since no format conversion is carried out.

Warning

Currently not working correctly for files with Windows line endings.

Example:

Extract only structures that include at least one aromatic carbon (by matching the SMARTS pattern [c]):

babel -s '[c]' database.sdf -ocopy new.sd

Note

XML files may be missing non-object elements at the start or end and so may no longer be well formed.

Note

This is a write-only format.