heterocyclic/DNA complexes

Paul Ramsland paul at INDY.BIO.UTS.EDU.AU
Wed Dec 27 20:19:11 EST 1995


Is there anyone in the big XPLORing world that can help me with the minimisation
and dynamics simulations of some heterocyclic/DNA complexes. I am new to using
XPLOR for anything but protein modelling work so treat me as a little naive.  I
have generated some PDB format files which contain non-optimised docked
complexes of a anthraquinone (hydroxyproline substituated) molecule with single
or double stranded DNA.  I am not sure about a few things;

a) How to generate these structures from the topology files in XPLOR.
b) What additional force field parameters that people are using for this work,
if any.

Any help would be greatly appreciated.

Regards, Paul

-- 
Paul Ramsland

Immunobiology Unit
Dept of Cell and Molecular Biology
University of Technology, Sydney
Westbourne St
Gore Hill, NSW	2065
Australia

Telephone: 61 2 330 4045
Facsimile: 61 2 330 4095
Email: paul at indy.bio.uts.edu.au




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