Dear all: I found that Modeller just use ony one CPU on my computer but the CPU is four-core. how to enbale mutiple CPU for modeller? Thank you
Have a look at the modeller.parallel module and friends:
http://salilab.org/modeller/manual/node69.html http://salilab.org/modeller/manual/node408.html#SECTION:parallel
As an example, you need to have something like this:
from modeller import * # Load standard Modeller classes from modeller.automodel import * # Load the automodel class from modeller.parallel import * # Load the parallel class, to use multiple processors
j = job(modeller_path=os.path.join(modellerPath, "bin/modslave.py")) j.append(local_slave()) # 1 Processor j.append(local_slave()) # 2 Processors j.append(local_slave()) # 3 Processors...and so on
env = environ() ..... Regular Modeller definitions.....
a.use_parallel_job(j) # Use the job for model building a.make() # do the actual homology modeling
Regards,
João [...] Rodrigues @ http://stanford.edu/~joaor/