> documentation then i conclude the TLS protocol in refmac is markedly different from phenix (i know this is not strictly a ccp4 question). cf. :
refmac: TLS RANGE 'A 245.' 'A 252.' ALL ORIGIN 14.019 -10.476 -35.068 T 0.4974 0.0372 0.3453 0.0674 0.2984 0.0431 L 21.5463 29.5753 20.7545 39.3304 9.2958 -11.5975 S 0.6432 1.0787 -0.1449 1.2672 2.1065 1.5489 -1.1854 -0.0349 center of reaction : 18.652 -5.646 -40.945 from orth. axes libration perpendicular to TLS plane : 13.256 deg^2 phenix: TLS RANGE 'A 245.' 'A 252.' ALL ORIGIN 14.019 -10.476 -35.068 T 0.2961 0.2533 0.2969 -0.0097 0.0111 0.0205 L 0.0006 0.0005 0.0006 0.0006 -0.0002 -0.0001 S 0.0058 -0.0026 -0.0027 0.0035 -0.0017 0.0011 -0.0052 0.0027 center of reaction : -606.636-734.593 -54.324 from orth. axes libration perpendicular to TLS plane : 0.001 deg^2 .... (trying to keep this a refmac/tlsanl question) and the results are equivalent - because of factors perhaps in symmetrization of S, because there are no unique choices of these things. if so, only the refmac axes faciliate an intuitive comparison. regards, -bryan p.s: link to original thread phenix board : http://www.phenix-online.org/pipermail/phenixbb/2010-October/004724.html
