From owner-chemistry@ccl.net Thu Sep 22 12:04:11 2005 From: "CCL" To: CCL Subject: CCL: input structure creation/editing Message-Id: <-29272-050922064558-28880-yYe1GfABltLLr2SCVvIS7g|a|server.ccl.net> X-Original-From: john furr Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Thu, 22 Sep 2005 06:45:52 -0400 MIME-Version: 1.0 Sent to CCL by: john furr [john.furr|a|gmail.com] --Replace strange characters with the "at" sign to recover email address--. Dynamol has a molecular editor. Not sure if that is what you are looking for or not? http://www.dynamol.com On 9/21/05, CCL wrote: > Dear CCLers, > > which program running under GNU/Linux would you recommend for the creation > and editing of the input structures > for the quantum-chemical calculations? Molden is good for inputs using > Z-matrices, but is very inconvenient for the free-hand "fine-tuning" of the > guess structures, say for the transition states. Ghemical is not bad but its > development seem to be stopped. > Something as simple as the editor built-in in WebMO would be good... > > Thank you. > > > Best regards, > Konstantin Ivanov