Re: [modeller_usage] Changing dir and printing hydrogens
To: Manoj Singh <>,
Subject: Re: [modeller_usage] Changing dir and printing hydrogens
From: Modeller Caretaker <>
Date: Wed, 02 Apr 2014 15:50:00 -0700
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.