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: Charles at Schwieters.org > To: wangtian780 at hotmail.com > CC: xplor-nih at nmr.cit.nih.gov > Subject: Re: [Xplor-nih] cyclic peptide > Date: Tue, 16 Feb 2010 07:36:36 -0500 > > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > 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 > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.10 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> > > iEYEARECAAYFAkt6kVQACgkQPK2zrJwS/laYGgCbBVD5JcLy6O4Nr+fxJvYYFaX/ > 2PMAnRhB9cTURYYOktVXnjbDW+ezLLik > =PKFT > -----END PGP SIGNATURE----- _________________________________________________________________ Windows Live???????????? http://events.livetome.cn/2010/2birthday -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20100217/1a121b17/attachment.html
