Subject: Cluster according to internal coordinates

From: Zhang Hongyu <[email-masked]>
Date: Thu, 14 Sep 1995 21:59:48 -0700 (PDT)

Dear CCL'ers,

I've got from a simulated annealing process a group of conformations of a
penta-ptide with 3D coordinates, and want to cluster them according to
internal coordinates, i.e. value of Phi and Psi angle, but I haven't found
the relative function in SYBYL or QUANTA.  Can anyone tell me where to find
suitable softwares ? 

BTW, I also want to get the standard of dividing Ramanchandra graph
(explicit value), i.e., if I got a pair of Phi-Psi value, how can I tell
whether it fall into A,D,or D*? 

Many thanks in advance !

Henry

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Henry Hongyu Zhang, Ph.D. student |  email: [email-masked]
Molecule Design Laboratory        |  	    [email-masked]
Institute of Physical Chemistry   |  Tel: 8610-2501490
Peking University                 |  Fax: 8610-2501725
Peking 100871 , China		  | 
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               Too hard, to be broken
                   Too soft, to be worthless 
                      			------------ Old Chinese Saying