IUBio

xmol .xyz databases

Chris Ewels ewels at excc.exeter.ac.uk
Wed Jun 7 06:54:02 EST 1995


I was wondering if anyone could help me locate a comprehensive
xyz.types file for xmol? We use xmol extensively to display large
hydrogen terminated clusters of various semiconductors, containing a
variety of different defect atoms (transition metals, etc.). However
our xyz.types file doesn't contain the whole range of atom types, so
currently we have to replace atoms with other species in order to
display them. Before I sat down and entered them all myself I wondered
whether anybody has done this already, or whether there is some
repository / ftp site where the full list can be downloaded from?

Any information on this would be much appreciated,

	- Chris Ewels

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  Chris Ewels   ewels at excc.ex.ac.uk    http://newton.ex.ac.uk/people/ewels/
     Department of Physics, University of Exeter, UK. +44-1392-264198
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