?Dear Sir/Madam,
I am running Modeller to build 500 homology models for a methyltransferase. Now I am running serial job. Do you think I can run parallel job? Or do you think I can submit the same script for 500 times and I can get the same results with serial job?
Thanks a lot!
Jianzhuang
On 03/24/2014 02:18 PM, Yao, Jianzhuang wrote: > I am running Modeller to build 500 homology models for a > methyltransferase. Now I am running serial job. Do you think I can run > parallel job? Or do you think I can submit the same script for 500 times > and I can get the same results with serial job?
Sure, you can do it either way. If you run as a serial job though, make sure you specify a different random seed for each run, otherwise you'll get the same model each time.
Ben Webb, Modeller Caretaker
Hi,
Just to be sure about what to do in this case: If I want to run 2 serial jobs (250 models in each job). To generate the random seed, I need to apply the informations of the script randomize.py into each script of model_single.py, is that right?
Regards,
Flavio
------------------------------------- Flavio Augusto Vicente Seixas Laboratory of Structural Biochemistry Department of Biochemistry Universidade Estadual de Maringá, PR, Brazil http://www.uem.br On Monday, March 24, 2014 8:01 PM, Modeller Caretaker modeller-care@salilab.org wrote:
On 03/24/2014 02:18 PM, Yao, Jianzhuang wrote: > I am running Modeller to build 500 homology models for a > methyltransferase. Now I am running serial job. Do you think I can run > parallel job? Or do you think I can submit the same script for 500 times > and I can get the same results with serial job?
Sure, you can do it either way. If you run as a serial job though, make sure you specify a different random seed for each run, otherwise you'll get the same model each time.
Ben Webb, Modeller Caretaker
On 4/21/14, 7:20 AM, flavio seixas wrote: > Just to be sure about what to do in this case: > If I want to run 2 serial jobs (250 models in each job). To generate the > random seed, I need to apply the informations of the script randomize.py > into each script of model_single.py, is that right?
No, just set rand_seed to a different value for each job when you create the environ object: http://salilab.org/modeller/9.13/manual/node114.html
Ben Webb, Modeller Caretaker
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flavio seixas -
Modeller Caretaker -
Yao, Jianzhuang