From owner-chemistry@ccl.net Wed Jul 25 16:27:01 2012 From: "Horkel, Ernst ehorkel**ioc.tuwien.ac.at" To: CCL Subject: CCL: AW: Retrosynthesis Message-Id: <-47274-120725162542-24304-B3NBcWbz8mxnSOEpBNuh6w[#]server.ccl.net> X-Original-From: "Horkel, Ernst" Content-class: urn:content-classes:message Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="iso-8859-1" Date: Wed, 25 Jul 2012 22:25:32 +0200 MIME-Version: 1.0 Sent to CCL by: "Horkel, Ernst" [ehorkel(!)ioc.tuwien.ac.at] Hi, have a look at http://www2.chemie.uni-erlangen.de/software/wodca/ However, I do not know if it is further maintained... Best Regards, Ernst ______________________________________________________ Univ.Ass. Dipl.-Ing. Dr.techn. Ernst Horkel Institute of Applied Synthetic Chemistry, Vienna University of Technology Tel.: +43-1-58801-163609 Getreidemarkt 9/163OC, +43-664-60588-7122 A-1060 Vienna, Austria Fax: +43-1-58801-15499 email: ehorkel|-|ioc.tuwien.ac.at -----Ursprüngliche Nachricht----- Von: owner-chemistry+ehorkel==ioc.tuwien.ac.at|-|ccl.net [mailto:owner-chemistry+ehorkel==ioc.tuwien.ac.at|-|ccl.net] Im Auftrag von Steve Watkins lloyd.riggs===gmx.ch Gesendet: Dienstag, 24. Juli 2012 12:08 An: Horkel, Ernst Betreff: CCL: Retrosynthesis Sent to CCL by: "Steve Watkins" [lloyd.riggs .. gmx.ch] Dear Users, I am looking for retrosynthesis software (GPL or Free). I found only an outdated version of OSET/CAOS. Others are no longer free. As such, I am looking for pointers or suggestions. In addition, I am also trying to find a free reaction database such as the ACD type, which list molecules, reactions etc...which can be used with retrosynthesis software. Any suggestions or help are appriciated Sincerely, Stephan Watkinshttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Wed Jul 25 19:22:00 2012 From: "Alex A. Granovsky gran_+_classic.chem.msu.su" To: CCL Subject: CCL: Announcement of public beta test program for Firefly version 8.0.0 RC Message-Id: <-47275-120725142023-28250-49pAKjjcqCde0untkivoaA++server.ccl.net> X-Original-From: "Alex A. Granovsky" Content-Type: multipart/alternative; boundary="----=_NextPart_000_018A_01CD6AB3.952DF640" Date: Wed, 25 Jul 2012 22:19:39 +0400 MIME-Version: 1.0 Sent to CCL by: "Alex A. Granovsky" [gran ~ classic.chem.msu.su] This is a multi-part message in MIME format. ------=_NextPart_000_018A_01CD6AB3.952DF640 Content-Type: text/plain; charset="koi8-r" Content-Transfer-Encoding: quoted-printable Dear CClers, The public beta test program for Firefly QC Package version 8.0.0 RC is = now open. Please find details here: = http://classic.chem.msu.su/gran/firefly/firefly8_rc.html Kind regards Alex Granovsky,=20 Firefly Project ------=_NextPart_000_018A_01CD6AB3.952DF640 Content-Type: text/html; charset="koi8-r" Content-Transfer-Encoding: quoted-printable

Dear=20 CClers,

The=20 public beta test program for Firefly QC Package version 8.0.0 RC is now = open.=20 Please find details here: http://= classic.chem.msu.su/gran/firefly/firefly8_rc.html

Kind=20 regards

Alex=20 Granovsky,

Firefly=20 Project

------=_NextPart_000_018A_01CD6AB3.952DF640-- From owner-chemistry@ccl.net Wed Jul 25 19:58:00 2012 From: "Markus Sitzmann sitzmann]-[helix.nih.gov" To: CCL Subject: CCL: AW: Retrosynthesis Message-Id: <-47276-120725175312-24953-zxPkld6sLH5WPTvgKCowpA{=}server.ccl.net> X-Original-From: Markus Sitzmann Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="ISO-8859-1"; format=flowed Date: Wed, 25 Jul 2012 17:52:24 -0400 MIME-Version: 1.0 Sent to CCL by: Markus Sitzmann [sitzmann ~~ helix.nih.gov] Well, I can tell you for sure that the person who last maintained the link sent by Ernst left years ago ( me :-) ), but you still might ask Molecular Networks (http://www.molecular-networks.com) for a copy of WODCA. Best, Markus On 7/25/2012 4:25 PM, Horkel, Ernst ehorkel**ioc.tuwien.ac.at wrote: > > Sent to CCL by: "Horkel, Ernst" [ehorkel(!)ioc.tuwien.ac.at] > Hi, > > have a look at > > http://www2.chemie.uni-erlangen.de/software/wodca/ > > However, I do not know if it is further maintained... > > Best Regards, > > Ernst > > ______________________________________________________ > > > > Univ.Ass. Dipl.-Ing. Dr.techn. Ernst Horkel > > Institute of Applied Synthetic Chemistry, > > Vienna University of Technology Tel.: +43-1-58801-163609 > Getreidemarkt 9/163OC, +43-664-60588-7122 > A-1060 Vienna, Austria Fax: +43-1-58801-15499 > > email: ehorkel]-[ioc.tuwien.ac.at > > > > -----Ursprüngliche Nachricht----- > Von: owner-chemistry+ehorkel==ioc.tuwien.ac.at]-[ccl.net [mailto:owner-chemistry+ehorkel==ioc.tuwien.ac.at]-[ccl.net] Im Auftrag von Steve Watkins lloyd.riggs===gmx.ch > Gesendet: Dienstag, 24. Juli 2012 12:08 > An: Horkel, Ernst > Betreff: CCL: Retrosynthesis > > > Sent to CCL by: "Steve Watkins" [lloyd.riggs .. gmx.ch] > > Dear Users, > > I am looking for retrosynthesis software (GPL or Free). I found only an outdated version of OSET/CAOS. Others are no longer free. As such, I am looking for pointers or suggestions. > > In addition, I am also trying to find a free reaction database such as the ACD type, which list molecules, reactions etc...which can be used with retrosynthesis software. > > Any suggestions or help are appriciated > > Sincerely, > > Stephan Watkinshttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt> -- Markus Sitzmann, Ph.D. Chemical Biology Laboratory Center for Cancer Research National Cancer Institute National Institutes of Health 376 Boyles St Frederick, MD 21702, USA 301-846-5974 (office) 301-846-6033 (fax) sitzmann%a%helix.nih.gov http://www.linkedin.com/pub/1/7b8/342 http://www.xing.com/profile/Markus_Sitzmann