RSCC is a real-space fit calculation tool both real-space correlation coefficient (rscc) and real-space R-factor (rsr). By default this tool calculates rscc. RSCC was designed to be a standalone tool using the same code that is used for ligand fitting by AFITT.
Command Line Help¶
- -in <molecule file>¶
Input molecule(s) to be scored against the density
- -mtz <mtz file>¶
Input MTZ file to be used for calculations. Currently only MTZ format is supported.
Set an electron density contour sigma level (positive) to be used for calculating rsr values. The default value is 0.0.
Flatten B-factors (20.0) of the input molecule. This flag is to be used with the –scatter flag.
Use rsr instead of rscc.
Calculate Fc (calculated) density from the input molecule.
This triggers copious logging of output to the screen.