Hi,
Thanks for the suggestions
At the moment I use
/usr/local/bin/obabel '/Users/swain/Desktop/acetophenones.sdf' -onul -v 'FFFFF'
2>&1 |cut -d " " -f1
Which does work but I was wondering if there was a command I was missing
Cheers
Chris
On 18 Aug 2013, at 03:13, "S.L. Chan" <slch...@yahoo.com> wrote:
> If it is for an SD file and if you are on unix, you could do
> fgrep -c "M END" <sdfile>
> or
> fgrep -c '$$$$' <sdfile>
>
> Just check that the last line is also '$$$$', otherwise you
> may have to add 1.
>
> If it is for a mol2 file, you could do
> fgrep -c "@<TRIPOS>ATOM" <mol2file>
>
>
> If you are on Windows, open a DOS prompt and substitute
> "fgrep -c" above with "find /c".
>
> etc. etc.
>
>
> Ling
>
>
> From: Chris Swain <sw...@mac.com>
> To: openbabel-discuss@lists.sourceforge.net
> Sent: Saturday, August 17, 2013 12:09 PM
> Subject: [Open Babel] Count Molecules
>
> Hi,
>
> Is there a way to simply count the number of molecules in a file?
>
> Cheers
> Chris
>
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