From owner-chemistry@ccl.net Sat Jan 16 00:58:01 2010
From: "Jio M jiomm|-|yahoo.com" <owner-chemistry[a]server.ccl.net>
To: CCL
Subject: CCL: How to generate sequences with specific residues at the intravel
Message-Id: <-41052-100115074545-31776-x0TUxWh/hTUqmZQJGMO1GQ[a]server.ccl.net>
X-Original-From: Jio M <jiomm(0)yahoo.com>
Content-Type: multipart/alternative; boundary="0-1406225049-1263556185=:39305"
Date: Fri, 15 Jan 2010 03:49:45 -0800 (PST)
MIME-Version: 1.0


Sent to CCL by: Jio M [jiomm=yahoo.com]
--0-1406225049-1263556185=:39305
Content-Type: text/plain; charset=us-ascii

You can write some programme in C++ or any language you like, which can make combinations of residues you want.



regards;

JIomm





--- On Fri, 1/15/10, Babak Khalili khalili.babak*|*gmail.com <owner-chemistry_+_ccl.net> wrote:

> From: Babak Khalili khalili.babak*|*gmail.com <owner-chemistry_+_ccl.net>
Subject: CCL: How to generate sequences with specific residues at the intravel
To: "M, Jiomm " <jiomm_+_yahoo.com>
Date: Friday, January 15, 2010, 7:50 AM

Hi Mannan

Try Avogadro free soft ware at http://avogadro.en.softonic.com/

regards,
Babak

On Fri, Jan 15, 2010 at 10:03, Mannan K malie_03+*+yahoo.co.in <owner-chemistry^_^ccl.net> wrote:



Sent to CCL by: "Mannan  K" [malie_03:-:yahoo.co.in]

Hi,

I would like to generate all possible combination of aminoacid sequences for(XXCXXLXXPXX).

Is there any automated tool to generate this?



MannanE-mail to subscribers: CHEMISTRY^_^ccl.net or use:E-mail to administrators: CHEMISTRY-REQUEST^_^ccl.net or usehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt--0-1406225049-1263556185=:39305
Content-Type: text/html; charset=us-ascii

<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">You can write some programme in C++ or any language you like, which can make combinations of residues you want.<br>
<br>
regards;<br>
JIomm<br>
<br>
<br><br>--- On <b>Fri, 1/15/10, Babak Khalili khalili.babak*|*gmail.com <i>&lt;owner-chemistry_+_ccl.net&gt;</i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Babak Khalili khalili.babak*|*gmail.com &lt;owner-chemistry_+_ccl.net&gt;<br>Subject: CCL: How to generate sequences with specific residues at the intravel<br>To: "M, Jiomm " &lt;jiomm_+_yahoo.com&gt;<br>Date: Friday, January 15, 2010, 7:50 AM<br><br><div id="yiv442201663">Hi Mannan<br><br>Try Avogadro free soft ware at <a rel="nofollow" target="_blank" href="http://avogadro.en.softonic.com/">http://avogadro.en.softonic.com/</a><br><br>regards,<br>Babak<br><br><div class="gmail_quote">On Fri, Jan 15, 2010 at 10:03, Mannan K malie_03+*+<a rel="nofollow" target="_blank" href="http://yahoo.co.in">yahoo.co.in</a> <span dir="ltr">&lt;<a rel="nofollow" ymailto="mailto:owner-chemistry^_^ccl.net" target="_blank"
 href="/mc/compose?to=owner-chemistry%5E_%5Eccl.net">owner-chemistry^_^ccl.net</a>&gt;</span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><br>
Sent to CCL by: "Mannan  K" [malie_03:-:<a rel="nofollow" target="_blank" href="http://yahoo.co.in">yahoo.co.in</a>]<br>
Hi,<br>
I would like to generate all possible combination of aminoacid sequences for(XXCXXLXXPXX).<br>
Is there any automated tool to generate this?<br>
<br>
Mannan<br>
<br>
<br>
<br<br>
<br>
E-mail to subscribers: <a rel="nofollow" ymailto="mailto:CHEMISTRY^_^ccl.net" target="_blank" href="/mc/compose?to=CHEMISTRY%5E_%5Eccl.net">CHEMISTRY^_^ccl.net</a> or use:<br>
      <a rel="nofollow" target="_blank" href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br>
<br>
E-mail to administrators: <a rel="nofollow" ymailto="mailto:CHEMISTRY-REQUEST^_^ccl.net" target="_blank" href="/mc/compose?to=CHEMISTRY-REQUEST%5E_%5Eccl.net">CHEMISTRY-REQUEST^_^ccl.net</a> or use<br>
      <a rel="nofollow" target="_blank" href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br>
<br>
Subscribe/Unsubscribe:<br>
      <a rel="nofollow" target="_blank" href="http://www.ccl.net/chemistry/sub_unsub.shtml">http://www.ccl.net/chemistry/sub_unsub.shtml</a><br>
<br>
Before posting, check wait time at: <a rel="nofollow" target="_blank" href="http://www.ccl.net">http://www.ccl.net</a><br>
<br>
Job: <a rel="nofollow" target="_blank" href="http://www.ccl.net/jobs">http://www.ccl.net/jobs</a><br>
Conferences: <a rel="nofollow" target="_blank" href="http://server.ccl.net/chemistry/announcements/conferences/">http://server.ccl.net/chemistry/announcements/conferences/</a><br>
<br>
Search Messages: <a rel="nofollow" target="_blank" href="http://www.ccl.net/chemistry/searchccl/index.shtml">http://www.ccl.net/chemistry/searchccl/index.shtml</a><br>
<br>
      <a rel="nofollow" target="_blank" href="http://www.ccl.net/spammers.txt">http://www.ccl.net/spammers.txt</a><br>
<br>
RTFI: <a rel="nofollow" target="_blank" href="http://www.ccl.net/chemistry/aboutccl/instructions/">http://www.ccl.net/chemistry/aboutccl/instructions/</a><br>
<br>
<br>
</blockquote></div><br>
</div></blockquote></td></tr></table><br>

      
--0-1406225049-1263556185=:39305--


From owner-chemistry@ccl.net Sat Jan 16 14:04:01 2010
From: "Uttama Mukherjee uttamachemistry]*[gmail.com" <owner-chemistry..server.ccl.net>
To: CCL
Subject: CCL:G: NICS calculation using GIAO method
Message-Id: <-41053-100116052721-1353-i+vdKBcXXsk6baMBtw2oSg..server.ccl.net>
X-Original-From: "Uttama  Mukherjee" <uttamachemistry-,-gmail.com>
Date: Sat, 16 Jan 2010 05:27:17 -0500


Sent to CCL by: "Uttama  Mukherjee" [uttamachemistry..gmail.com]
I wanted to know the actual method of giving a gaussian job for the calculation of NICS values using GIAO method with G03. In one of your NICS summary, you have said to include a ghost atom(Bq) at the geometric centre. So my question is, how to include this atom at the centre in a gaussian job format & how to get the geometric centre(also above & below the plane, away from the centre etc...). Also, how does the output look like? what values we have to consider for this calculation? So many questions...kindly help.
                                                  Uttama Mukherjee
                                                  uttamachemistry##gmail.com


From owner-chemistry@ccl.net Sat Jan 16 14:39:00 2010
From: "Lena Igor lenaigor07%a%gmail.com" <owner-chemistry.@.server.ccl.net>
To: CCL
Subject: CCL:G: read input and exit.
Message-Id: <-41054-100116134457-2272-dooTuAfihat7FlqG4NoVUg.@.server.ccl.net>
X-Original-From: "Lena  Igor" <lenaigor07##gmail.com>
Date: Sat, 16 Jan 2010 13:44:53 -0500


Sent to CCL by: "Lena  Igor" [lenaigor07-x-gmail.com]
Dear CCLs,
Which keyword in Gaussian03, can be used to only read input file (whithout any calculations). Its equivalent in MOPAC, is 0SCF. I would like to have an output file which can be read by Molekel visualizer?

Many thanks in advance.
Lena.


From owner-chemistry@ccl.net Sat Jan 16 17:10:00 2010
From: "Joaquin Barroso Flores joaco_barroso(-)yahoo.com" <owner-chemistry+/-server.ccl.net>
To: CCL
Subject: CCL:G: read input and exit.
Message-Id: <-41055-100116165212-26027-7PsYfBPBEsHUvUKgHqKZRw+/-server.ccl.net>
X-Original-From: Joaquin Barroso Flores <joaco_barroso##yahoo.com>
Content-Type: multipart/alternative; boundary="0-1509218197-1263675120=:60311"
Date: Sat, 16 Jan 2010 12:52:00 -0800 (PST)
MIME-Version: 1.0


Sent to CCL by: Joaquin Barroso Flores [joaco_barroso^^yahoo.com]
--0-1509218197-1263675120=:60311
Content-Type: text/plain; charset=iso-8859-1
Content-Transfer-Encoding: quoted-printable

Hi Lena=0A=0AUse=A0the option guess=3Donly That will read the input file,=
=A0create the=A0initial=A0guess wavefunction and exit the program=0A=0AI ho=
pe this is what you are looking for=0A=0ACheers=0A=A0=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=0AJoaquin Barr=
oso-Flores, Ph. D.=0AFacultatea de Chimie, Universitatea Babes-Bolyai=0AClu=
j-Napoca, Romania =0A=0A-> http://joaquinbarroso.wordpress.com=0A=0A=0Ajoaq=
uinbarroso''a''chem.ubbcluj.ro=0Ajoaquin.barroso''a''gmail.com =0A=0A=0A"Bl=
ogastronom=EDa": http://joaquinbarroso.blogspot.com =0A=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D =0A=0A=0A=
=0A=0A________________________________=0ADe: Lena Igor lenaigor07%a%gmail.c=
om <owner-chemistry]_[ccl.net>=0APara: "Flores, Joaquin Barroso " <jo=
aco_barroso]_[yahoo.com>=0AEnviado: s=E1bado, 16 de enero, 2010 12:44:53=0AAs=
unto: CCL:G: read input and exit.=0A=0A=0ASent to CCL by: "Lena=A0 Igor" [l=
enaigor07-x-gmail.com]=0ADear CCLs,=0AWhich keyword in Gaussian03, can be u=
sed to only read input file (whithout any calculations). Its equivalent in =
MOPAC, is 0SCF. I would like to have an output file which can be read by Mo=
lekel visualizer?=0A=0AMany thanks in advance.=0ALena.=0A=0A=0A=0A-=3D This=
 is automatically added to each message by the mailing script =3D-=0ATo rec=
over the email address of the author of the message, please change=0Athe st=
range characters on the top line to the ]_[ sign. You can also=0Alook up the =
X-Original-From: line in the mail header.=0A=0AE-mail to subscribers: CHEMI=
STRY]_[ccl.net or use:=0A=A0 =A0 =A0 http://www.ccl.net/cgi-bin/ccl/send_ccl_=
message=0A=0A=0A=
=A0 =A0 =A0=0A=0ASubscribe/=
Unsubscribe: =0A=A0 =A0 =A0=0A=
=0A=0A=0AJob: http://=
www.ccl.net/jobs =0AConferences: http://server.ccl.net/chemistry/announceme=
nts/conferences/=0A=0ASearch Messages: http://www.ccl.net/chemistry/searchc=
cl/index.shtml=0A=0A=
=0A=A0 =A0 =A0=0A=0ARTFI: http://www.ccl.ne=
t/chemistry/aboutccl/instructions/=0A=0A=0A      Encuentra las mejores rece=
tas en Yahoo! Cocina.                       =0Ahttp://mx.mujer.yahoo.com/co=
cina/
--0-1509218197-1263675120=:60311
Content-Type: text/html; charset=iso-8859-1
Content-Transfer-Encoding: quoted-printable

<html><head><style type=3D"text/css"><!-- DIV {margin:0px;} --></style></he=
ad><body><div style=3D"font-family:times new roman, new york, times, serif;=
font-size:12pt"><DIV></DIV>=0A<DIV>Hi Lena</DIV>=0A<DIV>&nbsp;</DIV>=0A<DIV=
>Use&nbsp;the option guess=3Donly That will read the input file,&nbsp;creat=
e the&nbsp;initial&nbsp;guess wavefunction and exit the program</DIV>=0A<DI=
V>&nbsp;</DIV>=0A<DIV>I hope this is what you are looking for</DIV>=0A<DIV>=
&nbsp;</DIV>=0A<DIV>Cheers<BR>&nbsp;</DIV>=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D<BR>Joaquin Barroso-Flores,=
 Ph. D.<BR>Facultatea de Chimie, Universitatea Babes-Bolyai<BR>Cluj-Napoca,=
 Romania=0A<DIV></DIV><BR>=0A<DIV>-&gt; http://joaquinbarroso.wordpress.com=
</DIV><BR><BR>=0A<DIV>joaquinbarroso''a''chem.ubbcluj.ro<BR>joaquin.barroso=
''a''gmail.com </DIV><BR><BR>=0A<DIV>"Blogastronom=EDa": http://joaquinbarr=
oso.blogspot.com <BR>=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=0A<DIV><BR></DIV>=0A<DIV style=3D"FONT-FAMILY: =
times new roman, new york, times, serif; FONT-SIZE: 12pt"><BR>=0A<DIV style=
=3D"FONT-FAMILY: arial, helvetica, sans-serif; FONT-SIZE: 10pt"><FONT size=
=3D2 face=3DTahoma>=0A<HR SIZE=3D1>=0A<B><SPAN style=3D"FONT-WEIGHT: bold">=
De:</SPAN></B> Lena Igor lenaigor07%a%gmail.com &lt;owner-chemistry]_[ccl.net=
&gt;<BR><B><SPAN style=3D"FONT-WEIGHT: bold">Para:</SPAN></B> "Flores, Joaq=
uin Barroso " &lt;joaco_barroso]_[yahoo.com&gt;<BR><B><SPAN style=3D"=
FONT-WEIGHT: bold">Enviado:</SPAN></B> s=E1bado, 16 de enero, 2010 12:44:53=
<BR><B><SPAN style=3D"FONT-WEIGHT: bold">Asunto:</SPAN></B> CCL:G: read inp=
ut and exit.<BR></FONT><BR><BR>Sent to CCL by: "Lena&nbsp; Igor" [lenaigor0=
7-x-gmail.com]<BR>Dear CCLs,<BR>Which keyword in Gaussian03, can be used to=
 only read input file (whithout any calculations). Its equivalent in MOPAC,=
 is 0SCF. I would like to have an output file which can be read by Molekel =
visualizer?<BR><BR>Many thanks in advance.<BR>Lena.<BR><BR><BR><BR>-=3D Thi=
s is automatically added to each message by the mailing script =3D-<BR>To r=
ecover the email address of the author of the message, please change<BR>the=
 strange characters on the top line to the ]_[
 sign. You can also<BR>look up the X-Original-From: line in the mail header=
.<BR><BR>E-mail to subscribers: <A href=3D"mailto:CHEMISTRY]_[ccl.net" ymailt=
o=3D"mailto:CHEMISTRY]_[ccl.net">CHEMISTRY]_[ccl.net</A> or use:<BR>&nbsp; &nbs=
p; &nbsp; <A href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_message" targe=
t=3D_blank>http://www.ccl.net/cgi-bin/ccl/send_ccl_message</A><BR><BR>E-mai=
l to administrators: <A href=3D"mailto:CHEMISTRY-REQUEST]_[ccl.net" ymailto=
=3D"mailto:CHEMISTRY-REQUEST]_[ccl.net">CHEMISTRY-REQUEST]_[ccl.net</A> or use<=
BR>&nbsp; &nbsp; &nbsp; <A href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_=
message" target=3D_blank>http://www.ccl.net/cgi-bin/ccl/send_ccl_message</A=
><BR><BR<BR>&nbsp; &nbsp; &nbsp; <A href=3D"http://=
www.ccl.net/chemistry/sub_unsub.shtml" target=3D_blank>http://www.ccl.net/c=
hemistry/sub_unsub.shtml</A><BR><BR>Before posting, check wait time at: <A =
href=3D"http://www.ccl.net/" target=3D_blank>http://www.ccl.net</A><BR><BR>=
Job: <A
 href=3D"http://www.ccl.net/jobs" target=3D_blank>http://www.ccl.net/jobs</=
A> <BR>Conferences: <A href=3D"http://server.ccl.net/chemistry/announcement=
s/conferences/" target=3D_blank>http://server.ccl.net/chemistry/announcemen=
ts/conferences/</A><BR><BR>Search Messages: <A href=3D"http://www.ccl.net/c=
hemistry/searchccl/index.shtml" target=3D_blank>http://www.ccl.net/chemistr=
y/searchccl/index.shtml</A><BR><BR>If your mail bounces from CCL with 5.7.1=
 error, check:<BR>&nbsp; &nbsp; &nbsp; <A href=3D"http://www.ccl.net/spamme=
rs.txt" target=3D_blank>http://www.ccl.net/spammers.txt</A><BR><BR>RTFI: <A=
 href=3D"http://www.ccl.net/chemistry/aboutccl/instructions/" target=3D_bla=
nk>http://www.ccl.net/chemistry/aboutccl/instructions/</A><BR><BR><BR></DIV=
></DIV></DIV><!-- cg28.c2.mail.ac4.yahoo.com compressed/chunked Sat Jan 16 =
12:50:32 PST 2010 --></div><br>=0A=0A=0A=0A      <hr size=3D1><br><font fac=
e=3D"Verdana" size=3D"-2">=A1Encuentra las mejores recetas<br>con Yahoo! Co=
cina!<br>=0Ahttp://mx.mujer.yahoo.com/cocina/</font></body></html>
--0-1509218197-1263675120=:60311--


From owner-chemistry@ccl.net Sat Jan 16 22:16:01 2010
From: "Lena Igor lenaigor07]^[gmail.com" <owner-chemistry!=!server.ccl.net>
To: CCL
Subject: CCL: read input and exit.
Message-Id: <-41056-100116221403-8837-+0+zdxx0K8deVJ+wpDogQQ!=!server.ccl.net>
X-Original-From: "Lena  Igor" <lenaigor07() gmail.com>
Date: Sat, 16 Jan 2010 22:14:00 -0500


Sent to CCL by: "Lena  Igor" [lenaigor07*o*gmail.com]
Dear Joaquim, 
That is what I am looking for.
Many thanks,

Lena.