From owner-chemistry@ccl.net Mon Sep 17 09:53:01 2012 From: "Andras Borosy andras.borosy^givaudan.com" To: CCL Subject: CCL: question about software for synthetic accessibility evaluation and design of synthetic routes Message-Id: <-47607-120917095022-21633-mYyN29kKIqRyS5xhs9So9A:_:server.ccl.net> X-Original-From: Andras Borosy Content-Type: multipart/alternative; boundary="=_alternative 004C0261C1257A7C_=" Date: Mon, 17 Sep 2012 15:50:15 +0200 MIME-Version: 1.0 Sent to CCL by: Andras Borosy [andras.borosy===givaudan.com] This is a multipart message in MIME format. --=_alternative 004C0261C1257A7C_= Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: base64 QVJDaGVtOiBBdXRvbWF0aW5nIFJldHJvc3ludGhldGljIENoZW1pc3RyeQ0KDQpodHRwOi8vd3d3 LnNpbWJpb3N5cy5jYS9hcmNoZW0vaW5kZXguaHRtbA0KDQoNClJlZ2FyZHMsDQoNCkFuZHJhcyBC b3Jvc3kNCg0KDQoNCkZyb206ICAgIldvbGYgSWhsZW5mZWxkdCB3ZGl8Knx4ZW1pc3RyeS5jb20i IDxvd25lci1jaGVtaXN0cnlAY2NsLm5ldD4NClRvOiAgICAgIkJvcm9zeSwgQW5kcmFzIC1pZCM0 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will take longer time on my PC. Please, if anyone can help me on that subject, I will appreciate his kind help. Best Regards, Hamdy El-Sheshtawy South Valley University Egypt From owner-chemistry@ccl.net Mon Sep 17 13:45:00 2012 From: "Tain Rodrigues Costa tainaliscano=-=globomail.com" To: CCL Subject: CCL: Mopac output file visualizer Message-Id: <-47609-120917131400-28511-f41WYhYubFOFcbe0tZsNbw++server.ccl.net> X-Original-From: "Tain Rodrigues Costa" Date: Mon, 17 Sep 2012 13:13:59 -0400 Sent to CCL by: "Tain Rodrigues Costa" [tainaliscano[-]globomail.com] Dear researches, I am doing some semi-empirical calculations with the PM7 method. I am running frequency calculations. I would like to know if there is any progam to visualize the frequency of the molecules. Thanks in advance, Tain Rodrigues, Undergraduate studant of farmacy of Universidade Federal Fluminense (UFF) From owner-chemistry@ccl.net Mon Sep 17 15:08:01 2012 From: "Victor Rosas Garcia rosas.victor]-[gmail.com" To: CCL Subject: CCL: Mopac output file visualizer Message-Id: <-47610-120917145118-27424-nDdxlT4yoLO+/uSz8p7RKg{=}server.ccl.net> X-Original-From: Victor Rosas Garcia Content-Type: multipart/alternative; boundary=0015175cb50ad5905204c9ea3fa6 Date: Mon, 17 Sep 2012 13:50:37 -0500 MIME-Version: 1.0 Sent to CCL by: Victor Rosas Garcia [rosas.victor[#]gmail.com] --0015175cb50ad5905204c9ea3fa6 Content-Type: text/plain; charset=ISO-8859-1 molden can do it 2012/9/17 Tain Rodrigues Costa tainaliscano=-=globomail.com < owner-chemistry(0)ccl.net> > > Sent to CCL by: "Tain Rodrigues Costa" [tainaliscano[-]globomail.com] > Dear researches, > > I am doing some semi-empirical calculations with the PM7 method. > I am running frequency calculations. I would like to know if there is any > progam to visualize the frequency of the molecules. > > Thanks in advance, > > Tain Rodrigues, > Undergraduate studant of farmacy of Universidade Federal Fluminense (UFF)> > > --0015175cb50ad5905204c9ea3fa6 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable molden can do it

2012/9/17 Tain Rodrigues= Costa tainaliscano=3D-=3Dglobomail.com <owner-chemistry(0)ccl.net>

Sent to CCL by: "Tain =A0 Rodrigues Costa" [tainaliscano[-]globomail.com]
Dear researches,

I am doing some semi-empirical calculations with the PM7 method.
I am running frequency calculations. I would like to know if there is any p= rogam to visualize the frequency of the molecules.

Thanks in advance,

Tain Rodrigues,
Undergraduate studant of farmacy of Universidade Federal Fluminense (UFF)


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