Difference between revisions of "Raw Copy"
From Open Babel
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Latest revision as of 05:22, 12 October 2007
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|Open Babel Version||2.0.0 and later|
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.
Extract only structures that include at least one aromatic carbon (by matching the SMARTS pattern '[c]')
babel -s '[c]' database.sdf -ocopy new.sd