Algorithms for 2D to 3D conversion of rings
- From: Suman Chakravarti <suman72_2000-0at0-yahoo.com>
- Subject: Algorithms for 2D to 3D conversion of rings
- Date: Sun, 18 Aug 2002 07:05:16 -0700 (PDT)
Dear CCLers
Does anybody has any idea of any free source code in C
or FORTRAN for converting connectivity table of
structures containing rings (fused, bridged etc) to 3D
coordinates using simple rules and without molecular
mechanics.
sincerely
Suman
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Suman K. Chakravarti
Chemistry Department
Case Western Reserve University
Cleveland, OH 44106, USA
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