Re: 答复: [gmx-users] any software which could convert a polypeptidesequence to a pdb file?
terrencesun at gmail.com
Wed Apr 20 07:54:49 CEST 2011
Leap is a part of Ambertools which is free. See
2011/4/20 Liao Chuan <liaochuan at tju.edu.cn>
> HI, Itamer and Mark, thanks for your prompt replies.
> Pymol, Amber and Sybyl are commercial software. Any free software/scripts?
> - Chuan
> *发件人:* gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> *代表 *Mark Abraham
> *发送时间:* 2011年4月20日 13:31
> *收件人:* Discussion list for GROMACS users
> *主题:* Re: [gmx-users] any software which could convert a
> polypeptidesequence to a pdb file?
> 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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