From owner-chemistry@ccl.net Fri Sep 28 02:09:00 2007 From: "Matthias Gottschalk gottschalk+/-gfz-potsdam.de" To: CCL Subject: CCL: basisset conversion to ACES2 format Message-Id: <-35265-070927112950-6335-Sw5dK4FzV/WR+ShAlIIT1A:_:server.ccl.net> X-Original-From: Matthias Gottschalk Content-Type: multipart/alternative; boundary=Apple-Mail-8--11922627 Date: Thu, 27 Sep 2007 14:29:18 +0200 Mime-Version: 1.0 (Apple Message framework v752.2) Sent to CCL by: Matthias Gottschalk [gottschalk---gfz-potsdam.de] --Apple-Mail-8--11922627 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Hallo all, does anybody has a tool to convert basissets available from the EMSL Basis Set Exchange site (bse.pnl.gov/bse/portal) to the ACES2 format? The new version does not support ACES2 format any more. Matthias -- Prof. Dr. Matthias Gottschalk GeoForschungsZentrum Sektion 4.1 Telegrafenberg 14473 Potsdam Germany tel/fax +49 (0) 331 288-1418/1402 --Apple-Mail-8--11922627 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1 Hallo all,

does anybody has a tool to = convert basissets available from the EMSL Basis Set Exchange site = (bse.pnl.gov/bse/portal) to the ACES2 format?
The new version = does not support ACES2 format any more.

Matthias


=

= --Apple-Mail-8--11922627-- From owner-chemistry@ccl.net Fri Sep 28 09:52:00 2007 From: "Yingbin Ge yingbin.ge^gmail.com" To: CCL Subject: CCL: Any tool to convert GAMESS MOs to ACES II format? Message-Id: <-35266-070927125222-13881-Udbot1UbJ9GJBN9h/1Aj1g a server.ccl.net> X-Original-From: "Yingbin Ge" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Thu, 27 Sep 2007 10:47:16 -0500 MIME-Version: 1.0 Sent to CCL by: "Yingbin Ge" [yingbin.ge^-^gmail.com] Hi, I am wondering if anyone has a tool to convert GAMESS MOs to ACES II format? Thanks, -- Yingbin Ge, Ph. D. 207 Spedding Hall, Ames Lab, Iowa State University Ames, IA 50011 (Office Phone: 515-294-0540) From owner-chemistry@ccl.net Fri Sep 28 16:14:01 2007 From: "Shirley Peng shirley\a/chemcomp.com" To: CCL Subject: CCL: CCG Releases New Version of the Molecular Operating Environment version 2007.09 Message-Id: <-35267-070928141219-20281-te7fFhUSIj947bS90MeKBQ-#-server.ccl.net> X-Original-From: "Shirley Peng" Content-Type: multipart/alternative; boundary="----=_NextPart_000_0089_01C801D4.42B14EF0" Date: Fri, 28 Sep 2007 13:34:14 -0400 MIME-Version: 1.0 Sent to CCL by: "Shirley Peng" [shirley#,#chemcomp.com] This is a multi-part message in MIME format. ------=_NextPart_000_0089_01C801D4.42B14EF0 Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: 7bit Chemical Computing Group Inc. announces the general release of the Molecular Operating Environment (MOE) version 2007.09 featuring new applications and enhancements for Pharmacophore Discovery, Structure Based Drug Design, Macromolecular Protonation State Assignment, Ligand Receptor Docking and Medicinal Chemistry Deployment. Visit www.chemcomp.com for more details. ------=_NextPart_000_0089_01C801D4.42B14EF0 Content-Type: text/html; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable

Chemical Computing Group Inc. announces the general = release of the Molecular Operating Environment (MOE) version 2007.09 featuring = new applications and enhancements for Pharmacophore Discovery, Structure = Based Drug Design, Macromolecular Protonation State = Assignment, Ligand Receptor Docking and Medicinal Chemistry = Deployment. Visit www.chemcomp.com for more details.

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