From owner-chemistry@ccl.net Thu Feb 12 08:12:01 2009 From: "=?ISO-8859-1?Q?Gon=E7alo_C=2E_Justino?= jgcj/./fct.unl.pt" To: CCL Subject: CCL: 3D -> 2D Message-Id: <-38599-090212072342-18815-Ptl2tobLuBvaufR1Y79Dhw-#-server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Gon=E7alo_C=2E_Justino?= Content-Type: multipart/alternative; boundary=001636c5b4960ec2920462b6419f Date: Thu, 12 Feb 2009 10:33:41 +0000 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Gon=E7alo_C=2E_Justino?= [jgcj-,-fct.unl.pt] --001636c5b4960ec2920462b6419f Content-Type: text/plain; charset=windows-1252 Content-Transfer-Encoding: quoted-printable u could try molconvert that comes with the (academic free) MarvinBeans from ChemAxon. Gon=E7alo 2009/2/11 Wolf-D. Ihlenfeldt wdi#,#xemistry.com > > > *From:* owner-chemistry+wdi=3D=3Dxemistry.com**ccl.net [mailto: > owner-chemistry+wdi =3D=3Dxemistry.com**ccl.net] *= On > Behalf Of *Anuradha Mittal anuradha.mittal[-]gmail.com > *Sent:* Wednesday, February 11, 2009 9:31 PM > *To:* Ihlenfeldt, Wolf D > *Subject:* CCL: 3D -> 2D > > > > Hi All, > > Is there any tool that I can use to convert a multi-mol2 of small ligands > to 2D? > > Thanks > Anu > > A short Cactvs chemical information processing toolkit script (or the > packaged commercial csfc converter built on top of it) can easily do the > job. > > Please contact me for details. > > > > W. D. Ihlenfeldt > Xemistry GmbH > wdi**xemistry.com > --- > xemistry gmbh =96 Gesch=E4ftsf=FChrer/Managing Director: Dr. W. D. Ihlenf= eldt > Address: Auf den Stieden 8, D-35094 Lahntal, Germany > HR Marburg B4713 : Ust/VAT ID DE215316329 : DUNS 34-400-1719 > > > --001636c5b4960ec2920462b6419f Content-Type: text/html; charset=windows-1252 Content-Transfer-Encoding: quoted-printable u could try molconvert that comes with the (academic free) MarvinBeans from= ChemAxon.

Gon=E7alo



2009/2/11 Wolf-D. Ihlenfeldt wdi#,#xemistry.com <owner-chemistry^^ccl.net><= br>

 <= /p>

From: owner-chemistry+wdi=3D=3Dxemistry.com**ccl.net [mailto:owner-ch= emistry+wdi=3D=3Dxemi= stry.com**ccl.net] = On Behalf Of Anuradha Mittal anuradha.mittal[-]gma= il.com
Sent: Wednesday, February 11, 2009 9:31 PM
To: Ihlenfeldt, Wolf D
Subject: CCL: 3D -> 2D

 

Hi All,

Is there any tool that I can use to convert a multi-mol2 of small ligands t= o 2D?

Thanks
Anu

A short Cactvs chemical information processing toolkit script (or the packaged commercial csfc converter built on top of it) can easily do the job.

Please contact me for details.

 <= /p>

W.= D. Ihlenfeldt
Xemistry GmbH
wdi**xemistry.com
---
xemistry gmbh =96 Gesch=E4ftsf=FChrer/Managing Director: Dr. W. D. Ihlenfel= dt
Address: Auf den Stieden 8, D-35094 Lahntal, Germany
HR Marburg B4713 : Ust/VAT ID DE215316329 : DUNS 34-400-1719

 


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