From owner-chemistry@ccl.net Wed Feb 11 20:26:00 2009 From: "Wolf-D. Ihlenfeldt wdi#,#xemistry.com" To: CCL Subject: CCL: 3D -> 2D Message-Id: <-38597-090211190925-15172-lojTyWBmB8MISMWxaLh6Ug-#-server.ccl.net> X-Original-From: "Wolf-D. Ihlenfeldt" Content-Language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_008F_01C98C9C.79EB2450" Date: Wed, 11 Feb 2009 23:00:02 +0100 MIME-Version: 1.0 Sent to CCL by: "Wolf-D. Ihlenfeldt" [wdi(-)xemistry.com] Dies ist eine mehrteilige Nachricht im MIME-Format. ------=_NextPart_000_008F_01C98C9C.79EB2450 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable =20 > 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 =20 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. =20 W. D. Ihlenfeldt Xemistry GmbH wdi+*+xemistry.com --- xemistry gmbh =96 Gesch=E4ftsf=FChrer/Managing Director: Dr. W. D. = Ihlenfeldt Address: Auf den Stieden 8, D-35094 Lahntal, Germany HR Marburg B4713 : Ust/VAT ID DE215316329 : DUNS 34-400-1719=20 =20 ------=_NextPart_000_008F_01C98C9C.79EB2450 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

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 – Gesch=E4ftsf=FChrer/Managing Director: Dr. W. D. = Ihlenfeldt
Address: Auf den Stieden 8, D-35094 Lahntal, Germany
HR Marburg B4713 : Ust/VAT ID DE215316329 : DUNS 34-400-1719

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