[gmx-users] any software which could convert a polypeptide sequence to a pdb file?
Mark.Abraham at anu.edu.au
Wed Apr 20 07:31:06 CEST 2011
On 4/20/2011 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!
Leap in the AmberTools package is good for this.
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