[o-info] Regularise in o

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drisal@mc.rochester.edu

Dear All,

	I am trying to use the Regularize routines in O version  6.2.1. 
When I execute "refi_setup <my_molecule_name> " I get the following
errors:

 Refi > No bond distances n Db for ALA
 Refi > Unexpected error in banda_dict_dist. 

Refi > No bond angles in Db for ALA
Refi > Unexpected error in banda_dict_angle. 

Refi > No torsion_fixed in Db for ALA
Refi > Unexpected error in banda_dict_tor_fix. 

etc....

	I know that my session file ("database") needs the .bonds_angles
stereochemistry dictionary before I use the Refi commands....and I tried
to generate one according to the example at Alwyn
Jones' website http://alpha2.bmc.uu.se/~alwyn/refi.html#anchor6346773

but I couldn't actually make O read in the information (I tried "read 
bonds_angles.o" where the file bonds_angles.o had all the necessary
parameters but this does not work.) I suspect I have the file in the wrong
format. 
	Could anyone who has successfully incorporated the
.bonds_angles dictionary into his/her database help me out? What needs to
be done? Any help is greatly appreciated, of course.

Thanks!

Dipesh Risal
drisal@mc.rochester.edu
Department of Biophysics
University of Rochester
Rochester, NY  

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