[gmx-users] any software which could convert a polypeptide sequence to a pdb file?
itamar.kass at monash.edu
Wed Apr 20 06:55:45 CEST 2011
It seems like you look into modelling the polypeptide, if you have a
good template you can use pymol ot even insight. If you wish to have an
ab-initio model you can use sybyl or alike.
Good luck with it,
On 20/04/11 2:36 PM, Liao Chuan wrote:
> Dear gmx-users,
> I want to conduct simulations of a protein and its ligand, a
> heptapeptide HXXXPAS, where X could be tyrosine, tryptophan, pheny
> alanine, alanine. Thus, I will have to conduct a total number of
> 4*4*4=64 runs. I've got the pdb file of the protein, but I have no
> idea how to prepare the pdb files of those 64 heptapeptides with
> sequences already known. Is there any software/script which could
> convert a polypeptide sequence to a pdb file? Any comment is appreciated!
> - Chuan
"In theory, there is no difference between theory and practice. But, in practice, there is." - Jan L.A. van de Snepscheut
| Itamar Kass, Ph.D.
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