[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] Changing dir and printing hydrogens

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
--
modeller-care@salilab.org             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage