[gmx-users] [OT] Generate random coil protein conformations?

[Mark Abraham]

On 12/05/10, ms  <devicerandom at gmail.com> wrote:
> Hi,
> 
> Sorry for the offtopic but my google-fu is apparently abandoning me. I am looking for a fast way to generate random coil protein configurations to use as startpoints for several simulations I'd like to do.
> 
> All I managed to find is:
> - FOLDTRAJ which seems unavailable and discontinued
> - the server at unfolded.uchicago.edu, which actual working part ( http://z-appserver.cti.depaul.edu/~unfolded/start.html ) seems unavailable as well.
> 
> Anyone has working suggestions for that? I am quite sure there must be such a package, yet I can't find it... dumb me probably.
> 

I dunno if it will help, but Googling with "self-avoiding Gaussian walk" might help - since that's what a random coil is.

Mark
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101205/8713ee8a/attachment.html>