Author: bugman Date: Wed Feb 18 11:40:33 2009 New Revision: 8822 URL: http://svn.gna.org/viewcvs/relax?rev=8822&view=rev Log: Added the bond length values for RDC usage. These are from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341. Modified: 1.3/physical_constants.py Modified: 1.3/physical_constants.py URL: http://svn.gna.org/viewcvs/relax/1.3/physical_constants.py?rev=8822&r1=8821&r2=8822&view=diff ============================================================================== --- 1.3/physical_constants.py (original) +++ 1.3/physical_constants.py Wed Feb 18 11:40:33 2009 @@ -56,6 +56,22 @@ NH_BOND_LENGTH = 1.02 * 1e-10 """The length of the NH bond (default value).""" + +NH_BOND_LENGTH_RDC = 1.041 * 1e-10 +"""The length of the NH bond for RDCs (from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341).""" + +CA_HA_BOND_LENGTH_RDC = 1.118 * 1e-10 +"""The length of the C_alpha-H_alpha bond for RDCs (from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341).""" + +CA_C_BOND_LENGTH_RDC = 1.526 * 1e-10 +"""The length of the C_alpha-C_prime bond for RDCs (from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341).""" + +C_N_BOND_LENGTH_RDC = 1.329 * 1e-10 +"""The length of the C_prime-N bond for RDCs (from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341).""" + +C_HN_BOND_LENGTH_RDC = 2.067 * 1e-10 +"""The length of the C_prime-HN bond for RDCs (from Ottiger, M. and Bax A., J. Am. Chem. Soc. (1998), 120, 12334-12341).""" + # The dipolar constant.