Raw Copy

From Open Babel
Revision as of 11:57, 27 January 2006 by Ghutchis (Talk | contribs)

Jump to: navigation, search
Filename Extensions copy
Chemical MIME Type Undefined
Specification URL Unknown
Import {{{import}}}
Export {{{export}}}
Open Babel Version {{{version}}}

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