From owner-chemistry@ccl.net Sat Jan 14 16:46:00 2006 From: "=?ISO-8859-1?Q?Jordi_Vill=E0_i_Freixa?= jvilla^imim.es" To: CCL Subject: CCL: code for internal to cartesian! Message-Id: <-30500-060114121628-26092-IsfkCl91h8TfjxjPbVaTMg%a%server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Jordi_Vill=E0_i_Freixa?= Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Sat, 14 Jan 2006 17:29:10 +0100 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Jordi_Vill=E0_i_Freixa?= [jvilla(0)imim.es] Dear Pradipta, in Polyrate code we developed some years ago these routines. I am not a developer o the code anymore but you may find it at the web of Don Truhlar's group http://comp.chem.umn.edu/polyrate/ Take care Jordi En/na Pradipta Bandyopadhyay pradipta/aiitg.ernet.in ha escrit: > Sent to CCL by: "Pradipta Bandyopadhyay" [pradipta\a/iitg.ernet.in] > Hello, > > Does anyone have a fortran code for converting cartesian coordiantes to > internals (bond, angle, dihedral) and internals to cartesians? > > thanks > > Pradipta > > > Dr. Pradipta Bandyopadhyay > Assistant Professor > Dept. of Biotechnology > Indian Institute of Technology, Guwahati > Phone: 91-361-258-2213 (office) > e-mail: pradipta[-]iitg.ernet.in > web: http://202.141.80.5/~pradipta/Pradipta.htm > > > ----------------------------------------------------------------------------------- > This email was sent from IIT Guwahati Webmail. If you are not the intended recipient, please contact the sender by email and delete all copies; your cooperation in this regard is appreciated. > http://www.iitg.ernet.in> > > > > > -- Jordi Villà i Freixa Computational Biochemistry and Biophysics lab Research Group on Biomedical Informatics (GRIB) - IMIM/UPF C/ Doctor Aiguader, 80; 08003 Barcelona (Spain) Tel: +34 93 221 1009 ext 2619 // Fax: +34 93 221 3237 e-mail: jvilla..imim.es http://diana.imim.es MSc on Bioinformatics for Health Sciences http://diana.imim.es/mbio http://www.idec.upf.edu/mbio