Raw Copy
From Open Babel
Filename Extensions | copy |
---|---|
Chemical MIME Type | Undefined |
Specification URL | http://openbabel.sourceforge.net/wiki/Raw_Copy |
Import | No |
Export | Yes |
Open Babel Version | 2.0.0 and later |
Options
Objects can be chemically filtered without the risk of losing any additional information they contain, since no format conversion is done. Note that XML files may be missing non-object elements at the start or end and so may no longer be well-formed.
Additional Comments
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