From owner-chemistry@ccl.net Sun Mar 15 12:55:01 2009 From: "Srinivasan S. Iyengar iyengar-*-indiana.edu" To: CCL Subject: CCL: Rotating a structure during the presentation in powerpoint in mac Message-Id: <-38854-090315025904-1637-bHKOgb5KkySlL43BIev/Cw a server.ccl.net> X-Original-From: "Srinivasan S. Iyengar" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Sun, 15 Mar 2009 02:26:04 -0400 MIME-Version: 1.0 Sent to CCL by: "Srinivasan S. Iyengar" [iyengar() indiana.edu] VMD will do this for you. The code is free. Simply google visual molecular dynamics to find out more. Arthur computationalboy[*]gmail.com wrote: > Hi, Anandarup, the Tripos Benchware 3D Explorer can reach your > requirement. > It is commercially available, though you can request a free evaluation > copy for one month. > http://www.tripos.com/index.php?family=modules,SimplePage,lab_informatics > Regards! > Arthur > > On Thu, Mar 5, 2009 at 7:54 AM, Anandarup Goswami > ananda1911[A]gmail.com > wrote: > > Hi all, > I am using powewrpoint in my mac to make presentation. I have to > put some calculated structures in my slides. I have been using > chemcraft and gaussview to make the picture. But it would have > been much better if I could allow some of my structures to rotate > freely (like a movie file) during my presentation. I am relatively > new to this field and have no experience in this kind of 3D effect > particularly in mac. Any help regarding this would be highly > appreciated. > Thanks, > Anandarup Goswami > > > > > -- > Arthur J. Wang > Shenyang Pharmaceutical University P.O. Box 40 > 103 Wenhua Road, Shenhe District > Shenyang,110016, P. R. China > Tel : +86 24 23986419 > Fax: +86 24 23995043 > E-Mail: wjmed(at)126.com ; > computationalboy(at)gmail.com From owner-chemistry@ccl.net Sun Mar 15 13:30:02 2009 From: "Anindita De anindita|-|iitk.ac.in" To: CCL Subject: CCL:G: problem in NBO calculation Message-Id: <-38855-090315010639-13351-XWXgvD4UZrdoGA5ohIEz0g*|*server.ccl.net> X-Original-From: "Anindita De" Date: Sun, 15 Mar 2009 01:06:35 -0400 Sent to CCL by: "Anindita De" [anindita-#-iitk.ac.in] Hi all, I was doing NBO calculation of copper complex using Gaussian 03 programme. I am always getting following error message Sorting of NBOs: 288 207 198 242 256 209 278 199 266 284 Sorting of NBOs: 287 243 254 260 264 241 271 238 240 214 Sorting of NBOs: 204 289 205 197 201 196 267 235 249 233 NBStor is confused about NOcc. Error termination via Lnk1e in C:\G03W\l607.exe at Sat Mar 07 15:46:25 2009. Job cpu time: 0 days 2 hours 26 minutes 38.0 seconds. File lengths (MBytes): RWF= 91 Int= 0 D2E= 0 Chk= 3 Scr= 1 Can anyone tell me how to solve this problem?? regards, Anindita From owner-chemistry@ccl.net Sun Mar 15 17:35:02 2009 From: "Niels Johan Christensen njc{=}life.ku.dk" To: CCL Subject: CCL:G: Rotating a structure during the presentation in powerpoint in mac Message-Id: <-38856-090315172506-19920-O2AbIsL4llDsU18CaH+hRA]=[server.ccl.net> X-Original-From: "Niels Johan Christensen" Content-Disposition: inline Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=US-ASCII Date: Sun, 15 Mar 2009 22:24:13 +0100 Mime-Version: 1.0 Sent to CCL by: "Niels Johan Christensen" [njc=-=life.ku.dk] 1) Create a simple html page loading the Jmol applet + your molecule.=20 2) Insert that html into your powerpoint presentation. http://www.mail-archive.com/jmol-users[#]lists.sourceforge.net/msg03088.html Best, Niels >>> "Srinivasan S. Iyengar iyengar-*-indiana.edu" = 15-03-09 7:26 >>> Sent to CCL by: "Srinivasan S. Iyengar" [iyengar() indiana.edu] VMD will do this for you. The code is free. Simply google visual=20 molecular dynamics to find out more. Arthur computationalboy[*]gmail.com wrote: > Hi, Anandarup, the Tripos Benchware 3D Explorer can reach your=20 > requirement. > It is commercially available, though you can request a free evaluation=20= > copy for one month. > http://www.tripos.com/index.php?family=3Dmodules,SimplePage,lab_informati= cs > Regards! > Arthur > > On Thu, Mar 5, 2009 at 7:54 AM, Anandarup Goswami=20 > ananda1911[A]gmail.com > wrote: > > Hi all, > I am using powewrpoint in my mac to make presentation. I have to > put some calculated structures in my slides. I have been using > chemcraft and gaussview to make the picture. But it would have > been much better if I could allow some of my structures to rotate > freely (like a movie file) during my presentation. I am relatively > new to this field and have no experience in this kind of 3D effect > particularly in mac. Any help regarding this would be highly > appreciated. > Thanks, > Anandarup Goswami > > > > > --=20 > Arthur J. Wang > Shenyang Pharmaceutical University P.O. Box 40 > 103 Wenhua Road, Shenhe District > Shenyang,110016, P. R. China > Tel : +86 24 23986419 > Fax: +86 24 23995043 > E-Mail: wjmed(at)126.com ; > computationalboy(at)gmail.com -=3D This is automatically added to each message by the mailing script = =3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt