Help with molecular graphics/modelling

Lorenzo Stella stella at paros.caspur.it
Mon Feb 26 23:58:23 EST 1996


Dear netters,
I work in a small biophysics group, using time resolved fluorescence 
spectroscopy to study the structure and dynamics of proteins.
 Now we are thinking about buying a workstation to do some molecular 
graphics, modelling and molecular dynamics simulations. Our problem is 
that our experience in these fields is very limited, so that we do not 
know exactly wich hardware and software we will need.
 We would like to be able to visualize our proteins, to do 
some simple calculations (distances, angles, accesible surface area, 
radius of gyration, etc.) and modelling (for instance simulation of the 
effects of a mutation) and also (if possible) molecular dynamics simulations.
Our budget is somewhat limited (about 20000 dollars). Probably we will be 
able to perform the simulations at the computing center of our 
university, but if we could do them locally it would be better.
 Our questions are:
-which workstation do we need? Wich would be the best, in your opinion?
-Which software is available? I know only Quanta (and RasMol), and Gromos 
for simulations. 
 Thanks a lot in advance, and, if possible, reply to the address below, 
since I do not read these newsgroups, usually. If there is any interest I 
will post a summary of the answers.
 Sincerely yours,

                             Lorenzo

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                               Lorenzo Stella
                        University of Rome "Tor Vergata"
                       Department of Biochemical Sciences
                           (C/O Prof. Nicola Rosato)
                    Via di Tor Vergata 135, 00133 Roma, Italy
                         STELLA2 at VAXROM.ROMA1.INFN.IT
                            Tel.:++39-6-72596459
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