Re: [modeller_usage] What is the mistake in this set of lines?

[Ashish Runthala <>]

What nobody knows to declare such data types? Any guesses with anyone what it should be, as probably there in MODELLER modules and functional binaries. 


Ashish Runthala,
Lecturer, Structural Biology Cell,
Biological Sciences Group,
BITS, Pilani
Rajasthan, INDIA

----- Original Message -----
From: "Ashish Runthala" <>
To: "modeller" <>
Sent: Saturday, October 29, 2011 10:39:22 AM GMT +05:30 Chennai, Kolkata, Mumbai, New Delhi
Subject: Re: What is the mistake in this set of lines?

Is it possible that i can declare some variables in python similar to the standard default MODELLER variables atomfile, pdbfile and code.
How these variables are declared in MODELLER? 

Thanks
Ashish

Ashish Runthala,
Lecturer, Structural Biology Cell,
Biological Sciences Group,
BITS, Pilani
Rajasthan, INDIA

----- Original Message -----
From: "Ashish Runthala" <>
To: "modeller" <>
Sent: Friday, October 28, 2011 8:17:00 AM GMT +05:30 Chennai, Kolkata, Mumbai, New Delhi
Subject: What is the mistake in this set of lines?

Dear Modellers,
I wrote a script to do three template modeling for a target sequence from all the templates present in the same folder. 
The script is expected to take 1SHW, 1SHX fixed and the third one should be iteratively taken from the current folder.

MODELLER defines atom as any PDB or .atm template file and pdbfile is the keyword defined for template with chain ID. 
So when i use pdbfile for both 1SHW, 1SHX why it only takes the one with the 2nd entry. Like a normal variable initial template name changes when it is assigned to some other template. 

So what is the mistake in this set of lines? How should i solve this task. 

    for (code, code, atomfile, chain) in (('1SHWA','1SHXA','1SHX','A'),
                                           (pdbfile,pdbfile,fileName,'A')):
        mdl = model(env, file=atomfile, model_segment=('FIRST:'+chain, 'LAST:'+chain))
        aln.append_model(mdl, atom_files=code, align_codes=atomfile)



Thanks,
Ashish



Ashish Runthala,
Lecturer, Structural Biology Cell,
Biological Sciences Group,
BITS, Pilani
Rajasthan, INDIA