We don't recommend specific hardware configurations. But we can give some guidelines. Think about the size of the models you want to investigate. The larger the models, the more memory you'll need, both for the CPU and for the GPU. A fast CPU is also helpful. And you should also consider what kind of storage to get. Since you want to run Amber, a CPU with lots of cores would be good. But, for the same money, a CPU with fewer cores is usually faster, and Chimera benefits from a faster CPU. You could always get two workstations :-) For GPUs, get a high-end consumer GPU. See http://plato.cgl.ucsf.edu/trac/chimera/wiki/benchmarks relative performance of various GPUs. The exception is if you are going to view the graphics in 3D stereo -- in that case, you'll need a workstation graphics card, like the AMD Fire/Radeon Pro or a nVidia Quadro (stay away from the entry level versions), and a stereo projector -- it's easier to build a VR setup with a high-end consumer GPU and use ChimeraX. See https://vr.ucsf.edu/ for information about VR. For storage, NVMe m.2 drives are the fastest. So if you can afford it, get it. Otherwise get a SSD drive. Make sure your scratch space is on the NVMe or SSD. You should add a regular SATA disk drive for keeping results. SATA drives are much larger and cheaper. Chimera benefits when starting up from the NVMe/SSD, but not much while it is running. I expect the same would be true for PyMol. But the other software on your list would benefit a lot from faster storage. Good luck, and please submit benchmark results from what you do get, Greg On 11/11/19 3:35 AM, Mr wrote:
HI Developer
I am about to purchase and use the software of Chimera1.13.1 . I need to configure a workstation for processing. I have a long-term plan. Do you have a recommended computer hardware configuration here?
I will also use the following program in this workstation: Software: Discovery studio (version 2.5); MOE (version 2015); PyMOL (version 2.3); Amber (version 14); Schrodinger (version 2018-4x64); RStudio (3.5), etc.; Database: Microarry; TCGA; NCBI; RNA-seq; RCSB PDB; NONCODE, etc.;
Which operating system can run these software perfectly and let them not conflict with your company's software.
Sorry to ask so many questions, I hope you can reply to me.
Thank you!
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