Re: [modeller_usage] Changing dir and printing hydrogens

[Modeller Caretaker <modeller-care@ucsf.edu>]

On 4/2/14, 2:47 PM, Manoj Singh wrote:
> I am using mutate_model.py for making mutations. I have two questions.
>
> 1. How can I read the original pdb from different directory and put
> output structure in current directory.

You would have to modify the script. It's pretty elementary Python.

> 2. How can I read and print hydrogen of original pdb in mutated pdb
> structure (except of mutated residue)

I'm not sure what you mean by "print hydogren" but you set 
env.io.hydrogen=True to have Modeller read hydrogens in from PDB files, 
and use top_allh.lib rather than top_heav.lib.

	Ben Webb, Modeller Caretaker
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