workstation suited for molecular modeling

Bent Nagstrup Bent at Nagstrup.dk
Tue Mar 21 05:50:20 EST 2000


bein wrote:
> POINTER (run on UNIX). But my boss said this workstation should be able to perform most
> used molecular modeling programs and GCG sequence search with inhouse database in the
> near future. Since I am not familiar in these fields, I'd like to ask what should I buy.

The obvious answer is that it depends on the software, since a lot of
software is only available as precompiled binaries for specific
platforms. I have no idea what is needed for your "inhouse databse",
but I do know that molecular modelling is either Silicon Graphics or
Linux.

For Silicon Graphics you should consider Sybyl (www.tripos.com) and
Insight (www.msi.com) - these are professional tools, and so is the
price....

On a smaller budget, your best choice is probably getting a high-end
PC and using WhatIf (http://www.cmbi.kun.nl/whatif/) and Modeller
(http://guitar.rockefeller.edu/modeller/modeller.html)

Modeller will also run quite happily on a Silicon Graphics machine,
but WhatIf really prefers its Linux-box

hope this helps you a bit




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