The Machine for docking

[rose-ETA]

Hello wizards,
Am a part of a group assigned to set up a lab for protein docking predictions. We plan to use docking softwares like AUTO DOCK4, CHARMM, ROSETTA to name a few. What according to you is the most important feature of a computer which would be used to run these softwares? Is it the Video card, the processor, the RAM or some thing else. Your comments are very much awaited. Thank you.

[lordy99]

Originally Posted by rose-ETA

Hello wizards,
Am a part of a group assigned to set up a lab for protein docking predictions. We plan to use docking softwares like AUTO DOCK4, CHARMM, ROSETTA to name a few. What according to you is the most important feature of a computer which would be used to run these softwares? Is it the Video card, the processor, the RAM or some thing else. Your comments are very much awaited. Thank you.

the general aswer is, as always: it depends

if you are using a software which is doing docking over correlation with fft, you may need much RAM. CPU power is always usefull. If you should buy less high end computers or many intermediate again depends on the softwaretool. the graphics card is negligible from my point of view. its only necessary if you want to have a fast look at the results and do nice image rendering

hth

[rose-ETA]

Thanks a zillion lordy.Thank you very much