From owner-chemistry@ccl.net Wed Mar 21 00:32:01 2007 From: "Soren Eustis soren/a\jhu.edu" To: CCL Subject: CCL:G: General Molecule/Fragment Database Message-Id: <-33860-070321002132-11599-o+NvvOKiLTeair8dvFt/Jg-$-server.ccl.net> X-Original-From: "Soren Eustis" Content-language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_00A1_01C76B46.71BD90C0" Date: Tue, 20 Mar 2007 23:21:09 -0400 MIME-Version: 1.0 Sent to CCL by: "Soren Eustis" [soren(0)jhu.edu] This is a multipart message in MIME format. ------=_NextPart_000_00A1_01C76B46.71BD90C0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit I am looking for a general molecule/fragment database in .pdb or .mol (.frg?) format that could be used to help expedite the preparation of runs in Gaussian. This may even be useful as a thought/research tool, simply having 3D structures to manipulate could be quite useful. I am sure there are some good options out there. Anyone have any suggestions (freeware preferred, but I am amenable to paying a few dollars as well.) Regards, Soren Soren N. Eustis Graduate Research Assistant Department of Chemistry Johns Hopkins University 3400 N. Charles Street Baltimore, MD 21218 (410) 516-4675 (office) (410) 925-5167 (cell) (410) 516-8420 (fax) soren]|[jhu.edu ------=_NextPart_000_00A1_01C76B46.71BD90C0 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

I am looking for a general molecule/fragment = database in .pdb or .mol (.frg?) format that could be used to help expedite the = preparation of runs in Gaussian. This may even be useful as a thought/research = tool, simply having 3D structures to manipulate could be quite useful. I = am sure there are some good options out there. Anyone have any suggestions = (freeware preferred, but I am amenable to paying a few dollars as = well.)

Regards,

Soren

Soren N. Eustis

Graduate Research Assistant

Department of Chemistry

Johns Hopkins University

3400 N. Charles Street

Baltimore, MD 21218

(410) 516-4675 (office)

(410) 925-5167 (cell)

(410) 516-8420 (fax)

soren]|[jhu.edu

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