! Filename = acm_tnt_dict.txt ! Created by XPLO2D V. 050802/3.3.2 at Thu Feb 28 16:17:10 2008 for A. Nonymous ! Auto-generated by XPLO2D from file acm_msd.pdb ! ! Note: impropers are mapped to TRIGONAL (-17 to +17), ! or CHIRAL (+-55 to +-17) restraints. Values ! outside these ranges yield an error message ! ! Note: PLANES are derived from 0 or +- 180 torsions ! and are implemented as sets of 4-atom planes. ! You can merge these into larger planes manually. ! Also note that cis and trans can NOT be ! distinguished by a PLANE restraint ! If this ! is important, use a TORSION 1000 or 1180 ! restraint instead of the corresponding PLANE ! ! ! Note: non-flat torsion angles lead to a TORSION ! restraint which is commented out by a # sign. ! To include such restraints in your refinement, ! remove the # sign(s). Also note that all such ! torsions by default have a periodicity of 1 ! ! ! ! BOND restraints ! GEOMETRY ACM BOND 1.213 0.020 C1 O ! Nobs = 1 GEOMETRY ACM BCORREL 0.000 10.000 C1 O GEOMETRY ACM BOND 1.347 0.020 C1 N ! Nobs = 1 GEOMETRY ACM BCORREL 0.000 10.000 C1 N GEOMETRY ACM BOND 1.506 0.020 C1 C2 ! Nobs = 1 GEOMETRY ACM BCORREL 0.000 10.000 C1 C2 ! ! ANGLE restraints ! GEOMETRY ACM ANGLE 119.994 2.000 O C1 N ! Nobs = 1 GEOMETRY ACM ANGLE 119.958 2.000 O C1 C2 ! Nobs = 1 GEOMETRY ACM ANGLE 120.049 2.000 N C1 C2 ! Nobs = 1 ! ! CHIRAL and TRIGONAL restraints ! GEOMETRY ACM TRIGONAL 0 0.02 C1 O N C2 ! Nobs = 1 ... Value = 0.00 !