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arsenate topology and parameter files

Mark Banfield m.banfield at bristol.ac.uk
Wed Apr 22 04:43:32 EST 1998

Dear Diao,

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?
> Sincerely,
> Diao Jiasheng
> --

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