[Chimera-users] desktop hardware

[joe viterbo]

Hi Tom,

Thank you for your insight, I appreciate it.  This helps me with my
decision!

Good luck on your work!

Best,
Joe

On Wed, Mar 4, 2020 at 1:08 PM Tom Goddard <goddard at sonic.net> wrote:

> Hi Joe,
>
>   If you are dealing with modest size systems, e.g. molecules with less
> than 10,000 atoms or density maps less than 100 Mbytes in size just about
> any new desktop or laptop will do.  If you deal with 500,000 atom
> structures or 4 Gbyte density maps then something nicer than Intel graphics
> would help render fast, an Nvidia or AMD GPU, like an Nvidia RTX 2070 is a
> high-end very high performance GPU for about $400, but a $100-200 GPU video
> gaming  GPU would also be a big improvement.  The large data will also
> benefit from having enough memory, 16 Gbyte, or 32 or 64 if you have really
> big data like lightsheet microscopy time series that are 30 Gbyte data
> sets.  The CPU speed is also important for non-graphical steps, like
> computing hydrogen bonds or adding hydrogens to your 50,000 atom
> structure.  ChimeraX rarely uses multiple cores for compute so fast single
> core speed would be better over high number of cores.
>
>   Just to reiterate, any modern desktop will do if you are looking at
> modest size data, and you only need to look at the higher end computer
> hardware if you work with large molecules and maps.
>
>         Tom
>
>
> > On Mar 4, 2020, at 10:07 AM, joe viterbo <joeviterbo at gmail.com> wrote:
> >
> > Hi everyone,
> >
> > I am about to purchase a PC desktop computer to run Chimera.  Regarding
> the hardware, should I focus more on CPU speed & cores or should I focus
> more on a powerful GPU?  Or should I try to find both?
> >
> > Thanks for your time!
> >
> > Best,
> > Joe
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>
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