From owner-chemistry@ccl.net Wed Jan 13 07:03:01 2016
From: "Andrey Voronkov av-,-digitalbiopharm.com" <owner-chemistry%x%server.ccl.net>
To: CCL
Subject: CCL: Plotting multiple file structures
Message-Id: <-51962-160113065146-31398-z9mzxn4dAfHNW0X8wq0aRA%x%server.ccl.net>
X-Original-From: Andrey Voronkov <av{=}digitalbiopharm.com>
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Date: Wed, 13 Jan 2016 14:51:21 +0300
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Sent to CCL by: Andrey Voronkov [av{}digitalbiopharm.com]
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Hi John, thank you for your suggestion, so you have 50 files with
structures, which you want to get plotted into mopac? I am sorry for the
question, I am just not very familiar with MOPAC in details. Or you mean
that you have files in the input formatfor mopac, which you want to plot?
You mean to get the structures displayed?

Best regards,
Andrey

On Mon, Jan 11, 2016 at 8:02 PM, John McKelvey jmmckel a gmail.com <
owner-chemistry ~~ ccl.net> wrote:

>
> Hello,
>
> I need to plot about 50 mopac input structures with titles on a page(s)
> given a list of file names.  I would appreciate any suggestions. Except for
> hetero atoms, hydrogen could be omitted.
>
> Many thanks!
>
> John
> --
> John McKelvey
> 545 Legacy Pointe Dr
> O'Fallon, MO 63376
> 636-294-5203
> jmmckel\a/gmail.com
>



-- 
Sincerely yours,
Andrey Voronkov, PhD
Founder & Executive director

DigitalBioPharm ltd.
Tel: +47 46 22 77 96
av ~~ digitalbiopharm.com
www.digitalbiopharm.com

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<div dir=3D"ltr">Hi John, thank you for your suggestion, so you have 50 fil=
es with structures, which you want to get plotted into mopac? I am sorry fo=
r the question, I am just not very familiar with MOPAC in details. Or you m=
ean that you have files in the input formatfor mopac, which you want to plo=
t? You mean to get the structures displayed?<div><br></div><div>Best regard=
s,</div><div>Andrey</div></div><div class=3D"gmail_extra"><br><div class=3D=
"gmail_quote">On Mon, Jan 11, 2016 at 8:02 PM, John McKelvey jmmckel a <a h=
ref=3D"http://gmail.com">gmail.com</a> <span dir=3D"ltr">&lt;<a href=3D"mai=
lto:owner-chemistry ~~ ccl.net" target=3D"_blank">owner-chemistry ~~ ccl.net</a>&=
gt;</span> wrote:<br><blockquote class=3D"gmail_quote" style=3D"margin:0 0 =
0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir=3D"ltr"><div><=
div><div><div><br clear=3D"all"></div>Hello,<br><br></div>I need to plot ab=
out 50 mopac input structures with titles on a page(s) given a list of file=
 names.=C2=A0 I would appreciate any suggestions. Except for hetero atoms, =
hydrogen could be omitted.<br><br></div>Many thanks!<span class=3D"HOEnZb">=
<font color=3D"#888888"><br><br></font></span></div><span class=3D"HOEnZb">=
<font color=3D"#888888">John <br><div><div><div><div>-- <br><div><div dir=
=3D"ltr"><div><div dir=3D"ltr"><div>John McKelvey<br>545 Legacy Pointe Dr</=
div><div>O&#39;Fallon, MO 63376<br>636-294-5203<br><a href=3D"mailto:jmmcke=
l%5Ca/gmail.com" target=3D"_blank">jmmckel\a/gmail.com</a></div></div></div=
></div></div>
</div></div></div></div></font></span></div>
</blockquote></div><br><br clear=3D"all"><div><br></div>-- <br><div class=
=3D"gmail_signature">Sincerely yours,<br>Andrey Voronkov, PhD<br>Founder &a=
mp; Executive director<br><br>DigitalBioPharm ltd.<br>Tel: +47 46 22 77 96<=
br><a href=3D"mailto:av ~~ digitalbiopharm.com" target=3D"_blank">av ~~ digitalbi=
opharm.com</a><br><a href=3D"http://www.digitalbiopharm.com" target=3D"_bla=
nk">www.digitalbiopharm.com</a></div>
</div>

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