From owner-chemistry ^at^ ccl.net Wed Jan 13 07:03:01 2016 From: "Andrey Voronkov av-,-digitalbiopharm.com" To: CCL Subject: CCL: Plotting multiple file structures Message-Id: <-51962-160113065146-31398-z9mzxn4dAfHNW0X8wq0aRA%x%server.ccl.net> X-Original-From: Andrey Voronkov Content-Type: multipart/alternative; boundary=001a113ceffa100730052935cb56 Date: Wed, 13 Jan 2016 14:51:21 +0300 MIME-Version: 1.0 Sent to CCL by: Andrey Voronkov [av{}digitalbiopharm.com] --001a113ceffa100730052935cb56 Content-Type: text/plain; charset=UTF-8 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 --001a113ceffa100730052935cb56 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
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?

Best regard= s,
Andrey

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

Hello,

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.

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 &a= mp; Executive director

DigitalBioPharm ltd.
Tel: +47 46 22 77 96<= br>av ~~ digitalbi= opharm.com
www.digitalbiopharm.com
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