From owner-chemistry@ccl.net Sat May 1 02:01:01 2010 From: "allouche||lasim.univ-lyon1.fr" To: CCL Subject: CCL: Qchem frequency output visualization Message-Id: <-41777-100501015815-21880-434RaM2qmPPcJqY5UxkYmA+/-server.ccl.net> X-Original-From: allouche_-_lasim.univ-lyon1.fr Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Sat, 01 May 2010 07:58:04 +0200 MIME-Version: 1.0 Sent to CCL by: allouche[]lasim.univ-lyon1.fr Hello Try Gabedit : gabedit.sourceforge.net A.R. Allouche > > Sent to CCL by: "Ramachandran Chelat" [rcchelat#rediffmail.com] > Dear CCL friends, > Could you tell me a freely available visualization software to view the > frequency output of Qchem calculations? > I could see the optimized geometry using molden. > But frequency icon is not active for the same. > > Thanking you, > Ramachandran> > > -------------------------------------------------------------------------- Ce message a été envoyé depuis le webmail IMP (Internet Messaging Program) From owner-chemistry@ccl.net Sat May 1 12:34:00 2010 From: "jaleel uc jaleel.uc..gmail.com" To: CCL Subject: CCL: Qchem frequency output visualization Message-Id: <-41778-100501034839-31654-KsttmiQBLdZdkOa1XYrpHw!^!server.ccl.net> X-Original-From: jaleel uc Content-Type: multipart/alternative; boundary=00504501474ef1d2b804858395ae Date: Sat, 1 May 2010 13:18:29 +0530 MIME-Version: 1.0 Sent to CCL by: jaleel uc [jaleel.uc*gmail.com] --00504501474ef1d2b804858395ae Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear ramachandran use web mo interface for this .freely downloadble with accdamic licence On Sat, May 1, 2010 at 11:28 AM, allouche||lasim.univ-lyon1.fr < owner-chemistry . ccl.net> wrote: > > Sent to CCL by: allouche[]lasim.univ-lyon1.fr > Hello > > Try Gabedit : gabedit.sourceforge.net > > A.R. Allouche > > > > > Sent to CCL by: "Ramachandran Chelat" [rcchelat#rediffmail.com] > > Dear CCL friends, > > Could you tell me a freely available visualization software to view the > > frequency output of Qchem calculations? > > I could see the optimized geometry using molden. > > But frequency icon is not active for the same. > > > > Thanking you, > > Ramachandran> > > > > > > > > > -------------------------------------------------------------------------= - > Ce message a =E9t=E9 envoy=E9 depuis le webmail IMP (Internet Messaging P= rogram) > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > --=20 Dr U.C.A.Jaleel. Asst Professor in cheminformatics Cheminformatics Division Malabar Christian College Calicut --00504501474ef1d2b804858395ae Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Dear=A0 ramachandran
=A0use web mo interface for this .freely downloadble with accdamic lic= ence
On Sat, May 1, 2010 at 11:28 AM, allouche||lasim.univ-lyon1.fr <owner-chemistry . ccl.net= > wrote:

Sent to CCL by: allouche[]lasim.univ-lyon1.fr=
Hello

Try Gabedit : gabedit.sourceforge.net

A.R. Allouche

>
> Sent to CCL by: "Ramachandran =A0Ch= elat" [rcchelat#r= ediffmail.com]
> Dear CCL friends,
> Could you tell me a fr= eely available visualization software to view the
> frequency output of Qchem calculations?
> I could see the optimi= zed geometry using molden.
> But frequency icon is not active for the= same.
>
> Thanking you,
> Ramachandran>
>
>




---------------------------------------------= -----------------------------
Ce message a =E9t=E9 envoy=E9 depuis le we= bmail IMP (Internet Messaging Program)



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--
Dr= U.C.A.Jaleel.
Asst Professor in cheminformatics
Cheminformatics Division
Malabar C= hristian College
Calicut
--00504501474ef1d2b804858395ae-- From owner-chemistry@ccl.net Sat May 1 13:09:00 2010 From: "=?gbk?B?QXJ0aHVy?= computationalboy**gmail.com" To: CCL Subject: CCL: Protein structure prediction through fold recognition Message-Id: <-41779-100501101441-8764-mJcdC3KSw49tShCEVrQHNQ__server.ccl.net> X-Original-From: "=?gbk?B?QXJ0aHVy?=" Content-Transfer-Encoding: 8Bit Content-Type: multipart/alternative; boundary="----=_NextPart_4BDC3022_08F8CFB0_21C6E5EB" Date: Sat, 1 May 2010 21:44:02 +0800 Mime-Version: 1.0 Sent to CCL by: "=?gbk?B?QXJ0aHVy?=" [computationalboy]~[gmail.com] This is a multi-part message in MIME format. ------=_NextPart_4BDC3022_08F8CFB0_21C6E5EB Content-Type: text/plain; charset="gbk" Content-Transfer-Encoding: base64 TWFueSB0aGFua3MgZm9yIHRoZSByZXBsaWVzIGZyb20gUGVkcm8gYW5kIEVzdGhlci4NCiAN CkJlc3QgcmVnYXJkcyENCiAgDQogIC0tLS0tLS0tLS0tLS0tLS0tLQ0KICAgDQpKaWFuIFdh bmcNClNoZW55YW5nIFBoYXJtYWNldXRpY2FsIFVuaXZlcnNpdHkgUC5PLiBCb3ggNDANCjEw MyBXZW5odWEgUm9hZCwgU2hlbmhlIERpc3RyaWN0DQpTaGVueWFuZywxMTAwMTYsIFAuIFIu IENoaW5hIA0KVGVsIDogKzg2IDI0IDIzOTg2NDE5DQpGYXg6ICs4NiAyNCAyMzk5NTA0Mw0K RS1NYWlsOiAgd2ptZWRAMTYzLmNvbSAgOyBqaWFud2FuZy5jaGVtQGdtYWlsLmNvbQ== ------=_NextPart_4BDC3022_08F8CFB0_21C6E5EB Content-Type: text/html; charset="gbk" Content-Transfer-Encoding: base64 PERJVj5NYW55IHRoYW5rcyBmb3IgdGhlIHJlcGxpZXMgZnJvbSBQZWRybyBhbmQgRXN0aGVy LjxCUj4mbmJzcDs8QlI+QmVzdCByZWdhcmRzITwvRElWPg0KPERJVj4mbmJzcDs8L0RJVj4N CjxESVY+PHNpZ24gc2lnbmlkPSIyIj4NCjxESVYgc3R5bGU9IkZPTlQtU0laRTogMTJweDsg Q09MT1I6ICM5MDkwOTA7IEZPTlQtRkFNSUxZOiBBcmlhbCBOYXJyb3ciPi0tLS0tLS0tLS0t LS0tLS0tLTwvRElWPg0KPERJViBzdHlsZT0iRk9OVC1TSVpFOiAxNHB4OyBDT0xPUjogIzAw MDsgRk9OVC1GQU1JTFk6IFZlcmRhbmEiPg0KPERJVj4NCjxQIGNsYXNzPU1zb05vcm1hbD48 U1BBTiBjbGFzcz1TcGVsbEU+PFNQQU4gY2xhc3M9R3JhbUU+PEk+PFNQQU4gbGFuZz1FTi1V UyBzdHlsZT0iRk9OVC1TSVpFOiAxNXB0OyBDT0xPUjogIzMzMzMzMzsgRk9OVC1GQU1JTFk6 ICdNb25vdHlwZSBDb3JzaXZhJyI+SmlhbjwvU1BBTj48L0k+PC9TUEFOPjwvU1BBTj48U1BB TiBjbGFzcz1HcmFtRT48ST48U1BBTiBsYW5nPUVOLVVTIHN0eWxlPSJGT05ULVNJWkU6IDE1 cHQ7IENPTE9SOiAjMzMzMzMzOyBGT05ULUZBTUlMWTogJ01vbm90eXBlIENvcnNpdmEnIj4g V2FuZzwvU1BBTj48L0k+PEI+PFNQQU4gbGFuZz1FTi1VUyBzdHlsZT0iRk9OVC1TSVpFOiAx My41cHQ7IENPTE9SOiAjMzMzMzMzOyBGT05ULUZBTUlMWTogJ0x1Y2lkYSBIYW5kd3JpdGlu ZyciPjxCUj48L1NQQU4+PC9CPjw/eG1sOm5hbWVzcGFjZSBwcmVmaXggPSBzdDEgLz48c3Qx OnBsYWNlbmFtZSB3OnN0PSJvbiI+PC9zdDE6cGxhY2VuYW1lPjxTUEFOIGNsYXNzPVNwZWxs RT48U1BBTiBsYW5nPUVOLVVTIHN0eWxlPSJGT05ULVNJWkU6IDEwcHQ7IENPTE9SOiAjMzMz MzMzOyBGT05ULUZBTUlMWTogQXJpYWw7IG1zby1iaWRpLWZvbnQtZmFtaWx5OiDLzszlIj5T aGVueWFuZzwvU1BBTj48L1NQQU4+PFNQQU4gbGFuZz1FTi1VUyBzdHlsZT0iRk9OVC1TSVpF OiAxMHB0OyBDT0xPUjogIzMzMzMzMzsgRk9OVC1GQU1JTFk6IEFyaWFsOyBtc28tYmlkaS1m b250LWZhbWlseTogy87M5SI+IDxzdDE6cGxhY2VuYW1lIHc6c3Q9Im9uIj48L3N0MTpwbGFj ZW5hbWU+UGhhcm1hY2V1dGljYWwgPHN0MTpwbGFjZXR5cGUgdzpzdD0ib24iPjwvc3QxOnBs YWNldHlwZT5Vbml2ZXJzaXR5IDxzdDE6cGxhY2UgdzpzdD0ib24iPjwvc3QxOnBsYWNlPlAu Ty48L1NQQU4+PC9TUEFOPjxTUEFOIGxhbmc9RU4tVVMgc3R5bGU9IkZPTlQtU0laRTogMTBw dDsgQ09MT1I6ICMzMzMzMzM7IEZPTlQtRkFNSUxZOiBBcmlhbDsgbXNvLWJpZGktZm9udC1m YW1pbHk6IMvOzOUiPiBCb3ggPHN0MTpzdHJlZXQgdzpzdD0ib24iPjwvc3QxOnN0cmVldD48 c3QxOmFkZHJlc3MgdzpzdD0ib24iPjwvc3QxOmFkZHJlc3M+NDA8QlI+MTAzIDxTUEFOIGNs YXNzPVNwZWxsRT5XZW5odWE8L1NQQU4+IFJvYWQsIDxTUEFOIGNsYXNzPVNwZWxsRT5TaGVu aGU8L1NQQU4+IERpc3RyaWN0PEJSPjxzdDE6Y2l0eSB3OnN0PSJvbiI+PC9zdDE6Y2l0eT48 c3QxOnBsYWNlIHc6c3Q9Im9uIj48L3N0MTpwbGFjZT5TaGVueWFuZzxTUEFOIGNsYXNzPUdy YW1FPiwxMTAwMTY8L1NQQU4+LCBQLiBSLiBDaGluYSA8QlI+VGVsIDogKzg2IDI0IDIzOTg2 NDE5PEJSPkZheDombmJzcDsrODYgMjQgMjM5OTUwNDM8QlI+RS1NYWlsOjxTUEFOIHN0eWxl PSJtc28tdGFiLWNvdW50OiAxIj4mbmJzcDsgPC9TUEFOPjxBIGhyZWY9Im1haWx0bzp3am1l ZEAxNjMuY29tIj48U1BBTiBzdHlsZT0iQ09MT1I6ICMzMzMzMzM7IG1zby1iaWRpLWZvbnQt ZmFtaWx5OiBBcmlhbCI+d2ptZWRAMTYzLmNvbTwvU1BBTj48L0E+Jm5ic3A7IDsgPEEgaHJl Zj0ibWFpbHRvOmppYW53YW5nLmNoZW1AZ21haWwuY29tIj5qaWFud2FuZy5jaGVtQGdtYWls LmNvbTwvQT48L1NQQU4+PC9QPjwvRElWPjwvRElWPjwvc2lnbj48L0RJVj4NCjxESVY+PHF6 b25lIHNpZ25pZD0iIj48L3F6b25lPjwvRElWPg0KPERJVj4mbmJzcDs8L0RJVj4= ------=_NextPart_4BDC3022_08F8CFB0_21C6E5EB-- From owner-chemistry@ccl.net Sat May 1 13:44:00 2010 From: "Prashant Kumar prashantkbio]-[gmail.com" To: CCL Subject: CCL: Protein structure prediction through fold recognition Message-Id: <-41780-100501024714-26062-eSc6C2yCCSce8pLLLmWjCA=server.ccl.net> X-Original-From: Prashant Kumar Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=ISO-8859-1 Date: Sat, 1 May 2010 11:07:08 +0530 MIME-Version: 1.0 Sent to CCL by: Prashant Kumar [prashantkbio a gmail.com] Dear Jian Wang, I suggest you to use PLOP (http://www.jacobsonlab.org/plop_manual/plop_overview.htm), it is free for academic purpose. On Fri, Apr 30, 2010 at 2:03 PM, Pedro Silva pedros**ufp.edu.pt wrote: > > Sent to CCL by: Pedro Silva [pedros|a|ufp.edu.pt] > In some difficult cases, hydrophobic cluster analysis may allow the > detection of faint homologies. > A program that compares your query sequence to every member of PDB90 > is available in http://www2.ufp.pt/~pedros/HCA_db/downloads.htm. > The relevant link on that page is the one to "Automated comparisons vs. P= DB90." > > Further background is available in > Silva, P.J. (2007) "Assessing the reliability of sequence similarities > detected through hydrophobic sequence analysis" =A0 Proteins: Structure, > Function and Bioinformatics, 70, 1588-1594. > > > Good luck! > > Pedro > > > > On Thu, Apr 29, 2010 at 2:48 PM, Jian Wang computationalboy . > gmail.com wrote: >> >> Dear all: >> Can anyone recommend some program for protein fold recognition from a >> primary sequence? >> I can not find good homology protein for my target sequence. >> Thanks in advance! >> >> -- >> Jian Wang (Arthur) >> 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: =A0=A0=A0 =A0 computationalboy(at)gmail.com >> >> > > > > -- > Pedro J. Silva > Assistant Professor > Universidade Fernando Pessoa > Porto - Portugal > http://www2.ufp.pt/~pedros/science/science.htm > > > > - This is automatically added to each message by the mailing script -> =A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message> =A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message> =A0 =A0 =A0http://www.ccl.net/chemistry/sub_unsub.shtml> =A0 =A0 =A0http://www.ccl.net/spammers.txt> > > --=20 Prashant From owner-chemistry@ccl.net Sat May 1 14:19:00 2010 From: "hamid.mosaddeghi h.mosaddeghi]*[ch.iut.ac.ir" To: CCL Subject: CCL:G: request for install gausian 03 an linda on linux] Message-Id: <-41781-100501020739-11712-KIYAiFSYX5rENmgoOce9jA^^^server.ccl.net> X-Original-From: "hamid.mosaddeghi" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=utf-8 Date: Sat, 1 May 2010 09:54:05 +0430 (IRDT) MIME-Version: 1.0 Sent to CCL by: "hamid.mosaddeghi" [h.mosaddeghi||ch.iut.ac.ir] Hello Dear Mr/Mrs I want install gaussian 03 with linda on linux, i have a file with name g03.tar.gz, fisrt install it on linux and test it (ok) ,now I need install linda and connect this computer to other computers(what needed for other),in directory /home/hamid/g03/ exits two folder linda-exe nad linda 7.1 ,I don't understand how install it? please help me? os:fedora core 12 and file:gaussian 03-b02