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vinay

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Hi everyone,

Could you please help me to use obgrep to eliminate amines. I am unable to use obgrep since its not recognizing the parenthesis, for example I Primary alpha amine

[NX3H2+0,NX4H3+;$([N]{!C])] Obgrep doesn't work for this pattern.

Could someone help me with this.

Thanks a lot

With Warm Regards

Vinay

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Noel O'Boyle

Re: (no subject)

Administrator

Hello Vinay,

In your pattern you have a "{" - is this an error? For some useful functional groups SMARTS strings, please see the file SMARTS_InteLigand.txt in the openbabel distribution, or online at http://openbabel.svn.sourceforge.net/viewvc/openbabel/openbabel/trunk/data/SMARTS_InteLigand.txt?view=markup

Regards,
Noel

2009/10/26 Vinay M <[hidden email]>

Hi everyone,
Could you please help me to use obgrep to eliminate amines. I am unable to use obgrep since its not recognizing the parenthesis, for example I Primary alpha amine
[NX3H2+0,NX4H3+;$([N]{!C])] Obgrep doesn't work for this pattern.

Could someone help me with this.
Thanks a lot

With Warm Regards
Vinay

Looking for the perfect gift? Give the gift of Flickr!
------------------------------------------------------------------------------
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is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9 - 12, 2009. Register now!
http://p.sf.net/sfu/devconference
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is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9 - 12, 2009. Register now!
http://p.sf.net/sfu/devconference
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