From owner-chemistry@ccl.net Mon Apr 17 22:53:00 2017 From: "Brian Skinn bskinn[a]alum.mit.edu" To: CCL Subject: CCL: Searching for a Graphical User Interface to teach molecular symmetry Message-Id: <-52754-170417224734-26635-Y4sdxCil1+cgq6e7NzKvqw{:}server.ccl.net> X-Original-From: Brian Skinn Content-Type: multipart/alternative; boundary=f403043c3f84b2a8be054d67ed79 Date: Mon, 17 Apr 2017 22:47:07 -0400 MIME-Version: 1.0 Sent to CCL by: Brian Skinn [bskinn[*]alum.mit.edu] --f403043c3f84b2a8be054d67ed79 Content-Type: text/plain; charset=UTF-8 Eduardo, I particularly like VMD's molecular symmetry capabilities: http://www.ks.uiuc.edu/Research/vmd/ It's free and open source; it has a built-in tool for symmetry detection with attractive display of the symmetry elements (see screenshot at http://imgur.com/a/dRe0d); and it can load a wide variety of file formats, including .xyz and .cube. Good luck! -Brian On Mon, Apr 17, 2017 at 10:35 AM, Eduardo edulsa##quimica.ufpr.br < owner-chemistry*|*ccl.net> wrote: > > Sent to CCL by: Eduardo [edulsa.*|*.quimica.ufpr.br] > Dear > > > I am looking for a GUI software, free preferably, that allow to show to my > students molecular symmetry elements in molecular structures. I found, > searching using google, a software produced by MolWave (3DMolSymm) but I am > afraid that it doesnot allow me to add or rebuild molecular, restricting me > to a 48 molecular data bank structure. > > For use a command line program, there is as very robust software wrote by > S. Pachkovsky, that is very easy and useful, but unfortunately, there is no > GUI interface or output. > > > Thank you in advance for your attention > > > Eduardo > > > -- > Eduardo Lemos de Sa > Associated Professor at Chemistry Department > Universidade Federal do Parana > Dep. Quimica, P. Box 19081, 81531-990 Curitiba PR / Brazil > phone: +55(41)33613300 > fax : +55(41)33613186 > Voip Number: call to (41) 33613600 (listen to the message and > type 10531185)http://www.ccl.net/chemistry/sub_unsub.shtmlConferences: http://server.ccl.net/chemistr > y/announcements/conferences/> > > --f403043c3f84b2a8be054d67ed79 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Eduardo,

I particularly like VMD's = molecular symmetry capabilities:=C2=A0http://www.ks.uiuc.edu/Research/vmd/

It's free and open source; it has a built-in tool for symmetry detec= tion with attractive display of the symmetry elements (see screenshot at http://imgur.com/a/dRe0d); and it ca= n load a wide variety of file formats, including .xyz and .cube.
=

Good luck!

-Brian

On Mon, = Apr 17, 2017 at 10:35 AM, Eduardo edulsa##quimica.ufpr.br <owner-chemistry*|*ccl.net> wrote:=

Sent to CCL by: Eduardo [edulsa.*|*.quimica.ufpr.br]
Dear


I am looking for a GUI software, free preferably, that allow to show to my = students molecular symmetry elements in molecular structures. I found, sear= ching using google, a software produced by MolWave (3DMolSymm) but I am afr= aid that it doesnot allow me to add or rebuild molecular, restricting me to= a 48 molecular data bank structure.

For use a command line program, there is as very robust software wrote by S= . Pachkovsky, that is very easy and useful, but unfortunately, there is no = GUI interface or output.


Thank you in advance for your attention


Eduardo


--
Eduardo Lemos de Sa
Associated Professor at Chemistry Department
Universidade Federal do Parana
Dep. Quimica, P. Box 19081, 81531-990 Curitiba PR / Brazil
phone: +55(41)33613300
fax=C2=A0 : +55(41)33613186
Voip Number: call to (41) 33613600 (listen to the message and
type 10531185)



-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY*|*ccl.net or use:
=C2=A0 =C2=A0 =C2=A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST*|*ccl.net or use
=C2=A0 =C2=A0 =C2=A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message

Subscribe/Unsubscribe:=C2=A0 =C2=A0 =C2=A0 http://www.cc= l.net/chemistry/sub_unsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs Conferences: http://server.ccl.net/chemistry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml
=C2=A0 =C2=A0 =C2=A0http://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutcc= l/instructions/



--f403043c3f84b2a8be054d67ed79--