Autogenerated Tag Syntax Documentation:


A scoring grid that contains PCS values which are calculated from the input tensor and compared with the ligand PCS values.

<PCSSingleGrid name="(&string;)" grid_name="(&string;)" tensor="(&real_cslist;)"
        pcs_file="(&string;)" pcs_weight="(1.0 &real;)" weight="(&real;)" />
  • grid_name: The name used to insert the scoring grid into the GridManager.
  • tensor: (REQUIRED) Comma-separated list of PCS tensor values from which the PCSSingleGrid is calculated. Tensor values should have the following order: Xax, Xrh, xM, yM, zM, alpha, beta, gamma.
  • pcs_file: (REQUIRED) Textfile with ligand PCS values.
  • pcs_weight: Multiply the PCS grid score by this weight value.
  • weight: (REQUIRED) XRW TO DO