Re: [AMBER] Small NAB program: Not getting desired output

From: Himanshu Joshi <himanshuphy87.gmail.com>
Date: Thu, 16 Oct 2014 11:53:00 +0530

When I redefine n=NULL before executing the wc_helix
for molecule m2 again in the program it works fine,

But I don't understand why it doesn't take the NULL value
when I define it once.

On Thu, Oct 16, 2014 at 11:11 AM, Himanshu Joshi <himanshuphy87.gmail.com>
wrote:

> Dear friends,
> My problem is related to NAB program output.
>
> Here is the program
>
> //
> molecule m1,m2;
> string n;
> n=NULL;
>
> m1=wc_helix(n,"","dna","a","","dna",2.25,-4.96,0.,0.,"");
> putpdb("a1.pdb",m1);
>
> m2=wc_helix(n,"","dna","a","","dna",2.25,-4.96,0.,0.,"");
> putpdb ("a2.pdb",m2);
> //
>
>
> I want to create an unpaired residue using nab bulletin
> wc_helix. In above program I gave NULL value to the seq.
> for molecule m1 it will gave me an unpaired residue.
> But when I use the same syntax for molecule m2 (a2.pdb)
> it gave me an A-A base pair.
>
> I went through the function wc_helix.nab but couldn't find the origin of
> this bug.
> I request to the NAB users/developers to please see this and let me know
> what is the issue.
>
> Thanks
>
>
> --
>
>
>
> *With Regards,HIMANSHU JOSHI Graduate Scholar, Center for Condense Matter
> TheoryDepartment of Physics IISc.,Bangalore India 560012*
>



-- 
*With Regards,HIMANSHU JOSHI Graduate Scholar, Center for Condense Matter
TheoryDepartment of Physics IISc.,Bangalore India 560012*
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Received on Wed Oct 15 2014 - 23:30:03 PDT
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