|
|
molecule_grid_data
|
molecule_grid_data (
atoms,
resolution,
step,
pad,
cutoff_range,
sigma_factor,
)
|
|
|
molmap_command
|
molmap_command ( cmdname, args )
Simulate an electron density map for an atomic model at a specfied
resolution. The simulated map is useful for fitting the model into
an experimental map using correlation coefficient as a goodness of fit.
|
|
|
molecule_map
|
molecule_map (
atoms,
resolution,
gridSpacing=None,
edgePadding=None,
cutoffRange=None,
sigmaFactor=None,
displayThreshold=None,
modelId=None,
replace=None,
)
|
Exceptions
|
|
|
MidasError, 'No atoms specified'
MidasError, '%s must be number, got "%s"' %(vname, str( value ) )
MidasError, 'modelId must be integer, got "%s"' % str( modelId )
|
|
|
|
make_molecule_map
|
make_molecule_map (
atoms,
resolution,
step,
pad,
cutoff_range,
sigma_factor,
display_threshold,
model_id,
replace,
)
|
|