? How to??compare structures genrated?based on backbone dihedrals ? are there any routines available in xplor or could you suggest other programs ? also how to cluster structures based on these (phi,psi), again suggestions for this in xplor, or other programs. ? Thanks
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- http://knowdeal.110mb.com Best Web Hosting at Lunarpages.com Coupon : besthostdeal Yahoo! Mail - Your Free E-mail Service --- On Thu, 9/25/08, Charles at schwieters.org <Charles at schwieters.org> wrote: From: Charles at schwieters.org <[email protected]> Subject: Re: [Xplor-nih] pdbTool and CYSP To: "Jeff Ellena" <jfe at virginia.edu> Cc: xplor-nih at nmr.cit.nih.gov Date: Thursday, September 25, 2008, 8:28 AM -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hello Jeff-- > > What is required to make protocol.loadPDB recognize CYSP residues (CYS with > MTSL attached)? First, in this case it's easier to use initStruct followed by initCoords. To get loadPDB to work here requires modification of psfGen.residueTypes['prot'] and adding the CYSP residue type to protein.top and its parameters to protein.par. It's my intention to streamline the procedure in the near future. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFI25IRPK2zrJwS/lYRAp1rAJ9cXtCQ+Fk/DS5rogcBhEYmMJUWzwCdGTJs Q8N/F/X4zoU6bvsbugHatQM= =lH+i -----END PGP SIGNATURE----- _______________________________________________ Xplor-nih mailing list Xplor-nih at nmr.cit.nih.gov http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080926/1ac69515/attachment.html
