[modeller_usage] Correct the small scripting error

[Ashish Runthala <>]

Dear MODELLERS,
I tried writing a script to automatically take 3 templates from the current folder and do iterative modeling for the same target sequence. i.e.,
 
I want to run Modeller with three templates (2 fixed (1SHWA, 1SHXA) + 1 variable, taken as different individual template files from the current folder iteratively).


def align(fileName):
    #fileName iteratively contains name of all pdb files
    log.verbose()
    env = environ()
    env.io.atom_files_directory = ['.', '../atom_files']
    pdbfile=fileName + 'A'

    aln = alignment(env)                           
    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=atomfile, align_codes=code)                                               


There is some mistake in last four lines as only two templates are coming in the alignment file and not the third one.
So correct my mistake in this piece of code. 

Thanks,
Ashish



-- 
Ashish Runthala,
Lecturer, Structural Biology Cell, 
Cabin: 3222-U
Biological Sciences Group,
Faculty Division III,
Birla Institute of Technology & Science, Pilani
Rajasthan, INDIA - 333 031
Website: https://sites.google.com/site/ashishrunthala/
Phone:  +91-1596-245073-273 (O)
            +91-7597971146 (M)
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