CCL: Converting coordinates
- From: Egon Willighagen <e.willighagen:+:science.ru.nl>
- Subject: CCL: Converting coordinates
- Date: Mon, 1 May 2006 09:53:59 +0200
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/
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