From chemistry-request@server.ccl.net Sat Nov 6 09:17:09 1999 Received: from mail4.nycap.rr.com (mail4-1.nyroc.rr.com [24.92.33.20]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA30686 for ; Sat, 6 Nov 1999 09:17:09 -0500 Received: from claessen.nycap.rr.com ([24.29.72.27]) by mail4.nycap.rr.com (Post.Office MTA v3.5.3 release 223 ID# 0-59787U250000L250000S0V35) with SMTP id com; Sat, 6 Nov 1999 09:12:43 -0500 Reply-To: From: "Rolf Claessen" To: "Arun Venkathanathan" , Subject: RE: 3D-plotting package Date: Sat, 6 Nov 1999 09:11:07 -0500 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) Importance: Normal In-Reply-To: X-MimeOLE: Produced By Microsoft MimeOLE V4.72.3612.1700 Dear Arun Venkathanathan, I compiled a list of over 200 software packages (free and commercial) for visualization, modelling, ... at http://www.claessen.net/chemistry/soft_en.html Hope that helps, Regards, Rolf > -----Original Message----- > From: Computational Chemistry List [mailto:chemistry-request@ccl.net]On > Behalf Of Arun Venkathanathan > Sent: Friday, November 05, 1999 6:30 AM > To: chemistry@ccl.net > Subject: CCL:3D-plotting package > > > > > Dear CCLers, > > Thanks to all those who responded to my e-mail regarding the availability > of free 3D-plotting packages. Most of the replies which I recieved > focussed on gnuplot, and also few other suggested molden, gopenmol etc. > > I forgot to mention in my previous e-mail that I was using SURFER ( 3D > plotting package which reads simple x,y,z data). It did produce excellent > surface plots and I was able to compose more than one plot on the same > page. I needed the entire plot in a postscript format and unfortunately > this option was unavailable in the version of SURFER which I am using. > > > Gnuplot doesn't give good quality 3-D surface plots (I hope I am not > wrong). > > I will deeply appreciate anyone who could recommend me a FREEWARE software > package which runs on MS-Windows/DOS/Linux operating systems. > > Since a lot of publications/papers have 3-D plots, I would like to know > the 3-D packages usually used by researchers and also their URL location. > > > Thanks in advance. > > > - Regards > Arun Venkatnathan > > > > > > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | > CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: > gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: > jkl@ccl.net > > > > > > From chemistry-request@server.ccl.net Sat Nov 6 16:21:41 1999 Received: from shell.monmouth.com (shell.monmouth.com [205.231.236.9]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id QAA32133 for ; Sat, 6 Nov 1999 16:21:41 -0500 Received: from monmouth.com (sl-max-ppp69.monmouth.com [209.191.21.71]) by shell.monmouth.com (8.9.3/8.9.3) with ESMTP id QAA29211 for ; Sat, 6 Nov 1999 16:13:42 -0500 (EST) Message-ID: <382499DA.1ADF89C5@monmouth.com> Date: Sat, 06 Nov 1999 16:12:58 -0500 From: ASG Organization: self-organized assembly X-Mailer: Mozilla 4.04 [en] (WinNT; U) MIME-Version: 1.0 To: chemistry@ccl.net Subject: free/shareware to teach/exercise symmetry point group problems (QM calculations) Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit I've been trying to find a possibly GUI-based structure drawing software, free or shareware, which would be capable of assigning symmetry point group to a given structure. I looked through the CCL archives and it seems that a few commercial software packages are able to do it (GAMESS and Mopac 6.0 cannot...), but they cost more money that I'm willing to spend on this purely private "self-improvement" project of mine. Alternatively, is anyone aware of a rather large set of organic molecules with the assigned point groups? It would be helpful to work from such examples, in addition to Cotton's book, which does not have answers to the exercise problems... Tony Gozdz agozdz@monmouth.com | agozdz@telcordia.com http://www.argreenhouse.com/bios/tony2/