From owner-chemistry@ccl.net Sat Feb 6 01:16:01 2016 From: "K Kumar Kd2f^^mtmail.mtsu.edu" To: CCL Subject: CCL:G: Cartesian to z-matrix Message-Id: <-52009-160206011438-27051-tznzekTcgy0eybNP0jj1Og*o*server.ccl.net> X-Original-From: "K Kumar" Date: Sat, 6 Feb 2016 01:14:37 -0500 Sent to CCL by: "K Kumar" [Kd2f|mtmail.mtsu.edu] Dear ccl users, Could anyone suggest a software to convert from cartesian to z-matrix. Please recommend other than "newzmat" command in gaussian and "openbabel" software. I tried them but having trouble with them. From owner-chemistry@ccl.net Sat Feb 6 03:08:00 2016 From: "Mehdi Esrafili m_esrafili++yahoo.com" To: CCL Subject: CCL:G: Cartesian to z-matrix Message-Id: <-52010-160206030023-32079-ipVMGbFX4vMpM1EbNDTfWQ,+,server.ccl.net> X-Original-From: Mehdi Esrafili Content-Type: multipart/alternative; boundary="----=_Part_191416_441359059.1454745616800" Date: Sat, 6 Feb 2016 08:00:16 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: Mehdi Esrafili [m_esrafili.++.yahoo.com] ------=_Part_191416_441359059.1454745616800 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable You may use GaussView.=20 =C2=A0=C2=A0---------------------------------------------------------------= ---------------------------------------------------------------=C2=A0=C2=A0= `The man who makes no mistakes does not usually make anything.'=C2=A0=C2=A0= =C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2= =A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0= =C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0 Edward John Phelps (1822-1900)--------= ---------------------------------------------------------------------------= -------------------------------------------=20 Mehdi D. Esrafili, Ph.D.Assistant Professor of Physical Chemistry=C2=A0 Current address:=C2=A0Department of Chemistry, Faculty of Basic Sciences,Un= iversity ofMaragheh, Iran. E-mail 1: m_esrafili++yahoo.com=20 E-mail 2: esrafili++maragheh.ac.ir------------------------------------------= ---------------------------------------------------------------------------= --------- =20 On Saturday, February 6, 2016 10:43 AM, K Kumar Kd2f^^mtmail.mtsu.edu <= owner-chemistry++ccl.net> wrote: =20 =20 Sent to CCL by: "K=C2=A0 Kumar" [Kd2f|mtmail.mtsu.edu] Dear ccl users, Could anyone suggest a software to convert from cartesian to z-matrix. Plea= se recommend other=20 than "newzmat" command in gaussian and "openbabel" software. I tried them b= ut having trouble=20 with them. -=3D This is automatically added to each message by the mailing script =3D-=C2=A0 =C2=A0 =C2=A0=C2=A0 =C2=A0 =C2=A0Subscribe/Unsubscribe:=20 =C2=A0 =C2=A0 =C2=A0Job: http://www.ccl.net/jobs=20=C2=A0 =C2=A0 =C2=A0------=_Part_191416_441359059.1454745616800 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
You may = use GaussView.
 
 
-------------------------------------------= ---------------------------------------------------------------------------= --------  
`The man who makes no mistakes does not usu= ally make anything.'
       &= nbsp;           &nbs= p;            &= nbsp; Edward John Phelps (1822-1900)
---------------------------= ---------------------------------------------------------------------------= ------------------------
Mehdi D. Esrafili, Ph.D.
Assistant Pro= fessor of Physical Chemistry 
Current address: Departme= nt of Chemistry,
Faculty of Basic Sciences,University of
M= aragheh, Iran.
E-mail 1: m_esrafili++yahoo.com E-mail 2: esrafili++maragheh.ac.ir
------------------------------= ---------------------------------------------------------------------------= ---------------------


On Saturday, February 6, 2016 10:43 A= M, K Kumar Kd2f^^mtmail.mtsu.edu <owner-chemistry++ccl.net> wrote:
=



Sent to CCL by: = "K  Kumar" [Kd2f|mtmail.mtsu.edu]
Dear ccl users,

Could anyo= ne suggest a software to convert from cartesian to z-matrix. Please recomme= nd other
than "newzmat" command in gaussian and "openbabel" software. I= tried them but having trouble
with them.



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------=_Part_191416_441359059.1454745616800-- From owner-chemistry@ccl.net Sat Feb 6 04:09:01 2016 From: "Mozhdeh Mohammadpour mozhdehmohammadpour!=!gmail.com" To: CCL Subject: CCL:G: Cartesian to z-matrix Message-Id: <-52011-160206040654-23577-AhQ092k8fVcoKMEhYbtBzA]_[server.ccl.net> X-Original-From: Mozhdeh Mohammadpour Content-Type: multipart/alternative; boundary=089e016348a8ae2a93052b1649c9 Date: Sat, 6 Feb 2016 12:36:48 +0330 MIME-Version: 1.0 Sent to CCL by: Mozhdeh Mohammadpour [mozhdehmohammadpour .. gmail.com] --089e016348a8ae2a93052b1649c9 Content-Type: text/plain; charset=UTF-8 Dear Kumar actually there is a tool in "Chemcraft" you can build your zmatrix yourself in Gaussian, Molpro and Gamsess format. But the simplest way is that you can save your Cartesian coordinate in zmatrix format by Gaussview when you want save your input (delete tick of "write Cartesian" choice). I hope this answer would be useful for you. On Sat, Feb 6, 2016 at 9:44 AM, K Kumar Kd2f^^mtmail.mtsu.edu < owner-chemistry**ccl.net> wrote: > > Sent to CCL by: "K Kumar" [Kd2f|mtmail.mtsu.edu] > Dear ccl users, > > Could anyone suggest a software to convert from cartesian to z-matrix. > Please recommend other > than "newzmat" command in gaussian and "openbabel" software. I tried them > but having trouble > with them.> > > --089e016348a8ae2a93052b1649c9 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Dear Kumar
actually there is a tool in "Chemcraft= " you can build your zmatrix yourself in Gaussian, Molpro and Gamsess = format. But the simplest way is that you can save your Cartesian coordinate= in zmatrix format by Gaussview when you want save your input (delete tick = of "write Cartesian" choice).
I hope this answer would = be useful for you. =C2=A0

On Sat, Feb 6, 2016 at 9:44 AM, K Kumar Kd2f^^mtmail.mtsu.edu <owner-chemistry**ccl= .net> wrote:

Sent to CCL by: "K=C2=A0 Kumar" [Kd2f|mtmail.mtsu.edu]
Dear ccl users,

Could anyone suggest a software to convert from cartesian to z-matrix. Plea= se recommend other
than "newzmat" command in gaussian and "openbabel" soft= ware. I tried them but having trouble
with them.



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--089e016348a8ae2a93052b1649c9-- From owner-chemistry@ccl.net Sat Feb 6 04:43:01 2016 From: "=?UTF-8?Q?=E2=80=ABSafiya_Amer=E2=80=AC_=E2=80=AB?= amersaf85++yahoo.com" To: CCL Subject: CCL:G: =?UTF-8?Q?=D8=A8=D8=AE=D8=B5=D9=88=D8=B5:_CCL:G:_Cartesian_to_z-matrix?= Message-Id: <-52012-160206043037-9119-/5skQuMtzqQRhsvn7AvhcQ{:}server.ccl.net> X-Original-From: =?UTF-8?Q?=E2=80=ABSafiya_Amer=E2=80=AC_=E2=80=AB?= Content-Type: multipart/alternative; boundary="----=_Part_531880_1074354065.1454751029058" Date: Sat, 6 Feb 2016 09:30:29 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: =?UTF-8?Q?=E2=80=ABSafiya_Amer=E2=80=AC_=E2=80=AB?= [amersaf85-x-yahoo.com] ------=_Part_531880_1074354065.1454751029058 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Dear K KumarYou can use=C2=A0GaussView program. open your input file which = contains molecular specification in cartesian coordinates, make save. you w= ill get input file with z-matrix.best wishes=C2=A0=C2=A0Safiya AmerGraduate= Student=C2=A0Misrata University =D9=85=D9=86: K Kumar Kd2f^^mtmail.mtsu.edu =D8=A5=D9=84=D9=89: "Amer, Safiya Ess " =20 =D8=AA=D8=A7=D8=B1=D9=8A=D8=AE =D8=A7=D9=84=D8=A5=D8=B1=D8=B3=D8=A7=D9=84:= =D8=A7=D9=84=D8=B3=D8=A8=D8=AA 6 =D9=81=D8=A8=D8=B1=D8=A7=D9=8A=D8=B1=D8= =8C 2016=E2=80=8F 8:14 =D8=B5 =D8=A7=D9=84=D9=85=D9=88=D8=B6=D9=88=D8=B9: CCL:G: Cartesian to z-matrix =20 Sent to CCL by: "K=C2=A0 Kumar" [Kd2f|mtmail.mtsu.edu] Dear ccl users, Could anyone suggest a software to convert from cartesian to z-matrix. Plea= se recommend other=20 than "newzmat" command in gaussian and "openbabel" software. I tried them b= ut having trouble=20 with them. -=3D This is automatically added to each message by the mailing script =3D-=C2=A0 =C2=A0 =C2=A0=C2=A0 =C2=A0 =C2=A0Subscribe/Unsubscribe:=20 =C2=A0 =C2=A0 =C2=A0Job: http://www.ccl.net/jobs=20=C2=A0 =C2=A0 =C2=A0------=_Part_531880_1074354065.1454751029058 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
De= ar K Kumar
You can use GaussView program. open your inpu= t file which contains molecular specification in cartesian coordinates, mak= e save. you will get input file with z-matrix.
best wishes&nb= sp;
 
Safiya Amer
Graduate Student <= /div>
Misrata University


<= div style=3D"font-family: times new roman, new york, times, serif=E2=80=8F;= font-size: 10px;" id=3D"yui_3_16_0_1_1454749673825_3880">

=D9=85=D9=86: K Kumar Kd2f^^mtmail.mtsu.ed= u <owner-chemistry]*[ccl.net>
=D8=A5=D9=84=D9=89: "Amer, Safiya Ess " <amersaf8= 5]*[yahoo.com>
=D8=AA=D8=A7= =D8=B1=D9=8A=D8=AE =D8=A7=D9=84=D8=A5=D8=B1=D8=B3=D8=A7=D9=84: = =D8=A7=D9=84=D8=B3=D8=A8=D8=AA 6 =D9=81=D8=A8=D8=B1=D8=A7=D9=8A=D8=B1=D8=8C= 2016=E2=80=8F 8:14 =D8=B5
=D8= =A7=D9=84=D9=85=D9=88=D8=B6=D9=88=D8=B9: CCL:G: Cartesian to z-m= atrix


Sent= to CCL by: "K  Kumar" [Kd2f|mtmail.mtsu.edu]
Dear ccl users,

Could anyone suggest a software to c= onvert from cartesian to z-matrix. Please recommend other
than "newzmat" command in = gaussian and "openbabel" software. I tried them but having trouble
with them.



-=3D Th= is is automatically added to each message by the mailing script =3D-
To recover the e= mail address of the author of the message, please change
look up t= he X-Original-From: line in the mail header.

E-mail to subscribers: CHEMISTRY]*[ccl.net or = use:
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<= /div>

E-mail to administrator= s: CHEMISTRY-REQUEST]*[ccl.net or use


Before posting, chec= k wait time at: http://ww= w.ccl.net



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