Dear Charles,
I tried the example file, it works. But the script is for generation a bond
between Ca and SG of Cys. Where I can find the file for the normal cyclic
peptide formation? The topology parameters are complicated to me.
Thanks.
Best
Tian
> From: [email protected]
> To: [email protected]
> CC: [email protected]
> Subject: Re: [Xplor-nih] cyclic peptide
> Date: Tue, 16 Feb 2010 07:36:36 -0500
>
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>
> Hello Tian--
> >
> >
> >
> > I want to do a structure calculation on a cyclic peptide. Does anyone has
> > the
> > information for the psf file generation and how to do it?
> >
>
> You can find an example of this in
>
> eginput/PSF_generation/genCircPep.py
>
> in the Xplor-NIH distribution.
>
> best regards--
> Charles
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