From owner-chemistry@ccl.net Wed Dec 5 10:15:01 2007 From: "DSprous|a|redpointbio.com" To: CCL Subject: CCL: Looking for a structure to name conversion software Message-Id: <-35772-071205101345-30931-6R59eHo5yTuc1cnzptpaTg*server.ccl.net> X-Original-From: Content-class: urn:content-classes:message Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C8374C.E2D1EA72" Date: Wed, 5 Dec 2007 09:41:14 -0500 MIME-Version: 1.0 Sent to CCL by: [DSprous-x-redpointbio.com] This is a multi-part message in MIME format. ------_=_NextPart_001_01C8374C.E2D1EA72 Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable The options for converting names to structures are three companies/products: =20 1. ACD has a batch program. 2. Cambridgesoft has a batch program. 3. OpenEyes has a product LexiChem. =20 =20 I evaluated all three in 2006 and preferred Lexichem. =20 =20 I am unaware of any free software. =20 =20 -- Dennis=20 =20 Dennis G. Sprous, PhD Chemoinformatics/Computational Chemistry RedPointBio Inc. 7 Graphics Drive Ewing NJ 08628 609-637-9700 ________________________________ > From: owner-chemistry,+,ccl.net [mailto:owner-chemistry,+,ccl.net]=20 Sent: Wednesday, December 05, 2007 8:02 AM To: Dennis Sprous Subject: CCL: Looking for a structure to name conversion software =20 ChemOffice may do that better, but it is commerical software. On Nov 16, 2007 6:39 PM, drmsaravanan=3Daim.com = wrote: Hi All, Is there any tool to convert 1000 structures to name at a stretch? it would be better if it is available freely. regards, M. Saravanan ________________________________ Check Out the new free AIM(R) Mail -- Unlimited storage and industry-leading spam and email virus protection. --=20 Arthur J. Wang Shenyang Pharmaceutical University P.O. Box 40 103 Wenhua Road, Shenhe District Shenyang,110016, P. R. China=20 Tel : +86 24 23986419 Fax: +86 24 23995043=20 E-Mail: wjmed(~)126.com ;=20 computationalboy(~)gmail.com=20 ------_=_NextPart_001_01C8374C.E2D1EA72 Content-Type: text/html; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable

The options for converting names to structures are three companies/products:

 

  1. ACD has a batch program.
  2. Cambridgesoft has a batch program.
  3. OpenEyes has a product LexiChem. 

 

I evaluated all three in 2006 and = preferred Lexichem. 

 

I am unaware of any free = software. 

 

-- Dennis =

 

Dennis G. Sprous, = PhD

Chemoinformatics/Computational = Chemistry

RedPointBio Inc.

7 Graphics Drive Ewing NJ 08628

609-637-9700


From: owner-chemistry,+,ccl.net [mailto:owner-chemistry,+,ccl.net]
Sent: Wednesday, December = 05, 2007 8:02 AM
To: Dennis Sprous
Subject: CCL: Looking for = a structure to name conversion software

 

ChemOffice may = do that better, but it is commerical software.

On Nov 16, 2007 6:39 PM, drmsaravanan=3Daim.com <owner-chemistry(~)ccl.net = > wrote:


Hi All,

Is there any tool  to convert 1000 structures to name at = a stretch? it would be better if it is available freely.

regards,

M. Saravanan


Check Out the new = free AIM(R) Mail -- Unlimited storage and industry-leading spam and = email virus protection.




--
Arthur J. Wang
Shenyang Pharmaceutical University P.O. Box = 40
103 Wenhua = Road, Shenhe District
Shenyang,110016, P. R. China
Tel : +86 24 23986419
Fax: +86 24 23995043
E-Mail:  wjmed(~)126.com ; =
     computationalboy(~)gmail.com=

------_=_NextPart_001_01C8374C.E2D1EA72--