From owner-chemistry- at -ccl.net Mon May 1 07:32:00 2006 From: "Egon Willighagen e.willighagen{}science.ru.nl" To: CCL Subject: CCL: Converting coordinates Message-Id: <-31636-060501072549-10412-U8CY93a0Mx+piH98FEQ4aA%server.ccl.net> X-Original-From: Egon Willighagen Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="utf-8" Date: Mon, 1 May 2006 09:53:59 +0200 MIME-Version: 1.0 Sent to CCL by: Egon Willighagen [e.willighagen|,|science.ru.nl] On Monday 01 May 2006 01:35, Juan Gil dagur99[-]hotmail.com wrote: > Sent to CCL by: "Juan Gil" [dagur99**hotmail.com] > I'm interested in conversion methods from internal to cartesian coordinates > for academic use. Any information is welcome, thanks a lot. The Chemistry Development Kit [1] provides an open source implementation [2,3] in Java, which might serve as template for other programming languages. Egon 1.http://cdk.sf.net/ 2.http://cdk.sourceforge.net/api/org/openscience/cdk/geometry/CrystalGeometryTools.html 3.http://svn.sourceforge.net/viewcvs.cgi/cdk/trunk/cdk/src/org/openscience/cdk/geometry/ -- e.willighagen|science.ru.nl Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6