Vinay M wrote:
> I tried this , but found a error message, could you help
>
> [root@vcentos53 2.2.3]#
> bash: [CX3H][#6]: command not found
> bash: [CX3H2]: command not found
This isn't a problem with obgrep, it's because you're using a bash "shell" program that executes the commands that you type in. In bash, The SMARTS expression has to be in single quotes, like this:
obgrep '[$([CX3H][#6]),$([CX3H2])]=[OX1]'
If you're going to be doing a lot of work with OpenBabel using a command line (that is, the bash program), you might want to find a good book about bash. O'Reilly sells one:
http://www.amazon.com/Learning-bash-Shell-Programming-Nutshell/dp/0596009658Or you can dig around on the internet for bash tutorials.
Craig
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