How to make Modeller run Iteratively
Dear Modellers, I am facing a small problem. Just like command line arguments are there in scripts, is it possible to make MODELLER run iteratively, based on my defined set of parameters integrated with MODELLER. If so, how. I want to use Modeller in this way.
1. I want to call salign_iterative/align2d.py with varying proteins and dynamically considered constraints. 2. Run align2d.py ( If salign is called, with my own set of defined parameters). 3. Run model_mult.py (Dynamically changing PDB template names with chainID with every run) 4. Iterate the loop 1-3 until some set of conditions are satisfied.
How to make MODELLER functions change the considered parameters declared during the function call.
Thanks Ashish
On 2/6/11 10:49 PM, Ashish Runthala wrote: > Just like command line arguments are there in scripts, is it possible > to make MODELLER run iteratively, based on my defined set of > parameters integrated with MODELLER. If so, how. I want to use > Modeller in this way.
Of course. Modeller scripts are simply Python scripts, so you can write loops and create complex protocols. For example, the automodel protocol is simply a Python class (defined in modlib/modeller/automodel/automodel.py).
Ben Webb, Modeller Caretaker
participants (2)
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Ashish Runthala -
Modeller Caretaker