Difference between revisions of "Raw Copy"
From Open Babel
m |
AcelvArric (Talk | contribs) |
||
| Line 1: | Line 1: | ||
| + | eltrcaletoc | ||
{{Format| | {{Format| | ||
|extensions=copy | |extensions=copy | ||
Revision as of 15:46, 11 October 2007
eltrcaletoc
| 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
