is it possible run MUTATE_MODEL (optimization step alone) in multithreading / Parallel job ?
Dear All,
Actually, I am using Mutate_model.py script(http://salilab.org/modeller/wiki/Mutate%20model) to generate single point mutant models for large mutation library with an optimization of selected region(~280 atoms).
There is no issue on time using for mutating residues but the script takes long time to finish the optimization step alone. So, I want to put this optimization step alone as a multithreading (running on all the CPU cores)similar to a.use_parallel_job(j)# Use the job for model building
If it is possible kindly some one could help me out of this would be really useful
Thanking you in advance
With Regards Mahesh V
On 07/04/2016 11:06 AM, Mahesh Velusamy wrote: > Actually, I am using Mutate_model.py > script(http://salilab.org/modeller/wiki/Mutate%20model) to generate single > point mutant models for large mutation library with an optimization of > selected region(~280 atoms). > > There is no issue on time using for mutating residues but the script takes > long time to finish the optimization step alone. So, I want to put this > optimization step alone as a multithreading (running on all the CPU > cores)similar to a.use_parallel_job(j)# Use the job for model building
Sorry, it's not possible to parallelize a single optimization run. The only reason we can parallelize automodel is that automodel builds multiple independent models, so we can simply build each model on a separate core.
Ben Webb, Modeller Caretaker
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Mahesh Velusamy -
Modeller Caretaker