Subject: RE: CCL:Cluster according to internal coordinates

From: Mrigank <[email-masked]>
Date: Mon, 18 Sep 95 09:15:29 +0530

==>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*? 
   
I have written a program which can find phi, psi, omega and chis from PDB
or MoMoS format files and output in a cpmpact tabular or a GNUPLOT script that
also markout the Ramachandran allowed regions. It is in Fortran. 

If interested i can send it .

Mrigank
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