Usually how long will the I-TASSER standalone package take to predict protein structure?

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Wei Liu
Posts: 3
Joined: Wed May 12, 2021 9:33 pm

Usually how long will the I-TASSER standalone package take to predict protein structure?

Post by Wei Liu »

Hello,

Normally, how long will it take to predict the structure of a protein with 200 aa? It takes me about 6 hours, under the condition that runstyle is gnuparallel and CPUs are two Intel Xeon E5-2637 3.50GHz CPUs, each with 4 physical cores and 8 threads. Is this normal, or should it be faster?

I really appreciate it if you give me some advice about how to speed up the process because I probably need to predict hundreds of proteins (most of them are single amino acid mutations).

Thank you!
robpearc
Posts: 38
Joined: Sun May 02, 2021 5:49 pm

Re: Usually how long will the I-TASSER standalone package take to predict protein structure?

Post by robpearc »

Yes, this is a normal amount of time for modeling a protein by I-TASSER. If you are already running the simulations in parallel, you may try to run the -light simulations or specify the -hour cutoff, which may reduce the modeling accuracy though.
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