Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

_pdbx_refine_tls.S[3][3]

Name:
'_pdbx_refine_tls.S[3][3]'

Definition:

   The [3][3] element of the screw-rotation tensor S. This should
   be given in the same coordinate frame as the
   corresponding anisotropic displacement parameters.

   The trace of S is indeterminate by crystallography, and should
   be set to zero.

Type: float

Type conditions: esd

Mandatory item: no

Aliases:


_ccp4_refine_tls.S[3][3] (cif_rcsb.dic version 1.1)
_ccp4_refine_tls.S[3][3] (cif_ccp4.dic version 1.0)

Related item: _pdbx_refine_tls.S[3][3]_esd (associated_esd)

Category: pdbx_refine_tls