From owner-chemistry "-at-" ccl.net Wed Nov 5 05:28:00 2008 From: "Andrew R Turner andrew.turner^ed.ac.uk" To: CCL Subject: CCL:G: available user interfaces for g03 Message-Id: <-38031-081105052457-31817-zbt0gDvjpDKE5NIRfk+6cQ.:.server.ccl.net> X-Original-From: Andrew R Turner Content-Disposition: inline Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; format="flowed" Date: Wed, 05 Nov 2008 09:51:56 +0000 MIME-Version: 1.0 Sent to CCL by: Andrew R Turner [andrew.turner+*+ed.ac.uk] Another excellent free option is Jmol (which can run as a standalone =20 application or in a web page as an applet). It contains tools for =20 creating G03 input files and for reading output and cube files. The =20 isosurface display options are particularly good (much better than =20 anything else I have come across). If you require a feature that is not yet implemented in Jmol then =20 requests are usually dealt with speedily. Plus, it is open source so =20 you can always add it yourself! See: http://jmol.sourceforge.net/ and demos at: http://jmol.sourceforge.net/demo/ Cheers Andy Quoting "Massimiliano Arca marca/./unica.it" : > > Sent to CCL by: "Massimiliano Arca" [marca^^^unica.it] > You probably need something such as GaussView, which anyhow is =20 > commercial (and expensive). If your needs are not too complex, you =20 > could try Molden or Gabedit. > > > > -=3D This is automatically added to each message by the mailing script =3D= -> > > > =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D Dr Andrew R. Turner e: andrew.turner[A]ed.ac.uk t: +44 (0)131 651 3578 p: Edinburgh Parallel Computing Centre University of Edinburgh EH9 3JZ =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D --=20 The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336.