We have details of the Molecular Simulations NMR workbench package, The Tripos
Triad package, and the JWC Scientific MacFid. Any comments on these and
suggestions of other packages to consider will be gratefully received.
Thank you in advance, Andy
Well...
I have the Triad package (including Capri and all the stuff for protein
structure needs, Mardigras etc.). I've also got all the stuff from
Biosym as well, including Felix etc.
I'll post this to BUM ('cos I'd like to hear from other Triad users),
and then say that I'll be more biased to give an opinion, Andy, if
you say more about what your needs are. Email/finger gharden@phoenix.oulu.fi
Essentially, both the above have their strong points, bugs and limitations.
If off-line processing is all you're after then I have no hassles with Felix 2.30.
Quick, clean, and well thought out.
If you want modelling/structure/everything then either Biosym/Tripos will
fit the bill. Triad at the moment will not handle DRX files, so I have to
convert these to old X32 first. Triad are aware of the problem and I'm assured
it's in hand.....
As for customer service, I have no complaints from either.....!
In my humble opinion, you'll need at least an R4000 SGI. These things
are adequate for handling dynamics if given time. Additional disks
slot straight in, and you can batchmin around the CPU's from all the
above software at a pinch. I've got 4 of the things, it's well worth
getting a network licence on all these packages, otherwise one
machine will have a headache!
Grahame
gharden@phoenix.oulu.fi
My employers opinions have nothing to do with my own....