Subject: PDQP

From: [email-masked] (Robert B. Yelle)
Date: Wed, 10 May 1995 10:04:30 -0800 (PDT)

Hello,

	I am currently attempting to calculate electrostatic potential
derived charges for asymmetric biomolecules using the program GAMESS.  In
the publication 'Derivation of Net Atomic Charges from Molecular Electrostatic
Potentials' (J. Comp. Chem. 11(3):293-310) the authors, Woods, et al. describe
a program called PDQP which symmetrically distributes the atomic points about
a cartesian axis so that the ESP calculations work properly in GAMESS.  I am 
seeking information about this program so that I may use it.  Does anyone know
about this program or know where I may obtain it?  Thank you in advance for
any and all responses.

Rob
-- 

Robert B. Yelle
Dept. of Biochemistry/Biophysics
Washington State University
Pullman , WA 99164-4660
(509) 335-4083
EMAIL:  [email-masked]