From owner-chemistry@ccl.net Mon May 1 12:46:08 2006 From: "Jim Kress ccl_nospam/./kressworks.com" To: CCL Subject: CCL: Converting coordinates Message-Id: <-31643-060501121530-2096-5EvX2NUUqLaAoDv/Z6NmZw||server.ccl.net> X-Original-From: "Jim Kress" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Mon, 1 May 2006 12:15:05 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam*|*kressworks.com] Routine intxyz.f in Tinker will do what you desire. Jim > -----Original Message----- > From: neeraj misra misraneeraj++gmail.com > [mailto:owner-chemistry!=!ccl.net] > Sent: Monday, May 01, 2006 3:43 AM > To: Kress, Jim > Subject: CCL: Converting coordinates > > Sent to CCL by: "neeraj misra" [misraneeraj++gmail.com] > ------=_Part_13309_23377682.1146447691018 > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > Content-Transfer-Encoding: quoted-printable > Content-Disposition: inline > > Better check out this site for conversion: > > http://dasher.wustl.edu/tinker/ > > > On 5/1/06, Juan Gil dagur99[-]hotmail.com > wrote: > > > > Sent to CCL by: "Juan Gil" [dagur99**hotmail.com] I'm > interested in > > conversion methods from internal to cartesian coordinates > for academic > > use. Any information is welcome, thanks a lot. > > > > > > > > -=3D This is automatically added to each message by the > mailing script > > = > =3D-> > > > > > > > > > -- > Neeraj Misra PhD > Assoc.Prof in Physics > Lucknow University 226007 > Phone 0522-2740410 (O) > 0522-3253647 (R) > Cell # 9335333805 > > ------=_Part_13309_23377682.1146447691018 > Content-Type: text/html; charset=ISO-8859-1 > Content-Transfer-Encoding: quoted-printable > Content-Disposition: inline > >
Better check out this site for conversion:
>
 
href=3D"http://dasher.wustl.edu/tinker/">http://dasher.wustl.edu/ti= > nker/

 
>
On 5/1/06, class=3D"gmail_sendername">J= uan Gil > dagur99[-]hotmail.com < .net">owner-chemistry.:.ccl.net> wrote: >
MARGIN: 0px 0= px 0px 0.8ex; BORDER-LEFT: #ccc 1px > solid">Sent to CCL by: "Juan =  Gil" > [dagur99**hotmail.com] r>I'm interested in conversion methods from internal to cartesian > r>coordinat= > es for academic use. Any information is welcome, thanks a lot. >



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clear=3D"all">
--
Neeraj = Misra PhD
Assoc.Prof in > Physics
Lucknow University 226007
Phone 05= 22-2740410 > (O)
         &nb= > sp; 0522-3253647 (R)
Cell # 9335333805=20 > > ------=_Part_13309_23377682.1146447691018-- > > > > -= This is automatically added to each message by the mailing > script =- To recover the email address of the author of the > message, please change the strange characters on the top line > to the !=! sign. You can also look up the X-Original-From: line > in the mail header.> Conferences: > http://server.ccl.net/chemistry/announcements/conferences/ > > Search Messages: http://www.ccl.net/htdig (login: ccl, > Password: search)> > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > -+-+-+-+-+ > > > > > >