From owner-chemistry ^%at%^ ccl.net Thu Jun 7 23:13:00 2007 From: "Jian computationalboy]^[gmail.com" To: CCL Subject: CCL: fragment filtering Message-Id: <-34438-070607223721-4277-Qn44Ow1BkozJxo+aF3a7ng+*+server.ccl.net> X-Original-From: Jian Content-Type: multipart/alternative; boundary="----=_Part_38073_23154574.1181269847811" Date: Fri, 8 Jun 2007 10:30:47 +0800 MIME-Version: 1.0 Sent to CCL by: Jian [computationalboy.:.gmail.com] ------=_Part_38073_23154574.1181269847811 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit Content-Disposition: inline You can try 3dfs, ligbuilder, etc. They are both free. Regards! On 6/4/07, Mingyue Zheng myzheng ~ gmail.com wrote: > > you may try openbabel, good luck! > > 2007/6/4, Thomas Joseph alabarae+/-yahoo.com : > > > > > > Sent to CCL by: "Thomas Joseph" [alabarae..yahoo.com] > > Hi all, > > > > Do any of you know about any FREE softwares which can identify fragments > > in a chemical database that wil run under Windows? > > I want to identify specific fragments in a chemical database > > > > thank you in advance > > > > > > > > > > E-mail to subscribers: CHEMISTRY**ccl.net or use:> > > > E-mail to administrators: CHEMISTRY-REQUEST**ccl.net or use> > > > Search Messages: http://www.ccl.net/htdig (login: ccl, Password: > > search)> > > > > > > > > > > > > -- > -------------------------------------------------------------------------------- > > Dr. Mingyue Zheng > Research Associate, Drug Discovery and Design Center (DDDC) > Box 1201, Shanghai Institute of Materia Medica. > 555 Rd. Zuchongzhi, Shanghai, China > Tel: 86-021-50806600-1201 > Web: http://dddc.ac.cn > Email: myzheng**mail.shcnc.ac.cn ------=_Part_38073_23154574.1181269847811 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline You can try 3dfs, ligbuilder, etc.
They are both free.
Regards!


On 6/4/07, Mingyue Zheng myzheng ~ gmail.com <owner-chemistry{:}ccl.net> wrote:
you may try openbabel, good luck!

2007/6/4, Thomas Joseph alabarae+/-yahoo.com < owner-chemistry**ccl.net>:

Sent to CCL by: "Thomas  Joseph" [alabarae..yahoo.com]
Hi all,

Do any of you know about any FREE softwares which can identify fragments in a chemical database that wil run under Windows?
I want to identify specific fragments in a chemical database

thank you in advance




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--
--------------------------------------------------------------------------------
Dr. Mingyue Zheng
Research Associate, Drug Discovery and Design Center (DDDC)
Box 1201, Shanghai Institute of Materia Medica.
555 Rd. Zuchongzhi, Shanghai, China
Tel:      86-021-50806600-1201
Web:   http://dddc.ac.cn
Email: myzheng**mail.shcnc.ac.cn

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