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<[email protected]> writes: Hello Colleen-- > > I am trying to figure out how to obtain statistics regarding them > (rdcPotTools RDC_analyze?). I have successfully run a structure > calculation using RDCs; in my stats table I get violations and an > RMSD(dev). Are these the only values available? Is there a way to see the > average R-factor in this table as well (or is it likely there and I am > missing it)? > With your script and a recent version of Xplor-NIH, statistics should be reported in the .stats file. These statistics include the two definitions of R-factor, Da and rhombicity in addition to rmsd. Please let me know if you are looking for something else. best regards-- Charles - - -- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt - -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.11 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAk3NS5IACgkQPK2zrJwS/lZ9KQCbBIc7ueDYmps8Cg9Keu7o4W4x fM0AniLZbHWKkknwEti6Ic7Ob31OrW7/ =Rdpo - -----END PGP SIGNATURE----- -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.11 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAk3NZ9wACgkQPK2zrJwS/laDeQCfYjmnRHOY/F4YLS8GJxLuVe5A 8eAAn2hKk1eHmt5scyB3Eyjk4itV2YA8 =ictM -----END PGP SIGNATURE----- _______________________________________________ Xplor-nih mailing list [email protected] http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
