-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello-- > > I like to use NH and CH RDCs as inputs for structure calculation of a small > peptide > molecule. How can I give these different sets of RDCs as inputs? Is it that > XPLOR meant for > NH RDCs only?...or can one use all kinds of RDCs in a single input file with > the > corresponding atom names and XPLOR automatically considers the RDCs based on > the atom > names?? > please see the Xplor-NIH tutorial http://nmr.cit.nih.gov/xplor-nih/doc/current/python/tut.pdf and the notes in eginput/gb1_rdc/anneal.py in the Xplor-NIH distribution directory. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAktq/EMACgkQPK2zrJwS/lbWzgCdFkGuIGKCJgJvE+StZAfa+kMB KTQAnjtF177k+LU7RQpa/shrmgcSvCv3 =ASrO -----END PGP SIGNATURE-----
