When using the CCP4i GUI, in the Run Refmac5 find the Use Prosmart option
and select input existing restraints file from the dropdown menu.
After that, a Prosmart restraints in should appear, where you should provide the
path to the downloaded restraints file. To control the weights of the applied restraints, use
the input fields in the External restraints section.
When supplying a Refmac parameter file through the command line, provide the following lines
at the end of the script:
EXTERNAL WEIGHT SCALE distance {external_distance}
EXTERNAL WEIGHT SCALE ANGLE {external_angle}
EXTERNAL WEIGHT GMWT {external_gmwt}
EXTERNAL USE ALL
EXTERNAL DMAX 4.2
# External script file:
@{external_file}
where:
{external_distance} is the weight given to bond distance restraints [number],
{external_angle} is the wheight given to bond angle restraints [number],
{external_gmwt} is the Geman–McClure robust estimation function parameter [number],
{external_file} is the path to the downloaded restraints file [text]
(Documentation).