arsenate topology and parameter files
m.banfield at bristol.ac.uk
Wed Apr 22 04:43:32 EST 1998
There must be loads of crystal structures in the Cambridge Structural
Database containing arsenate, which will obviously give you some
I suggest that you go take a look. For introduction see:
You can then use XPLO2D (Uppsala) to get XPLOR parameter and topology
If you have any problems getting hold of the co-ordinates, drop me and
email and I'll retrieve them for you from the database and mail you
Mark Banfield @ the University of Bristol, UK
Diao Jia-Sheng wrote:
> Dear all:
> I'd like to get arsenate (AsO4) topology and parameter files.
> I could not find them on http://atb.csb.yale.edu/hetero/
> Maybe I need a set of arsenate coordinates and use Uppsala XDICT Server
> to generate arsenate topology and parameter files.
> Where can I get a set of arsenate coordinates?
> Diao Jiasheng
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