Plot aggregated uptake on the 3D structure
plot_aggregated_uptake_structure.Rd
Function plots the aggregated data (either one state deuterium uptake or differential deuterium uptake) on the 3d structure.
Usage
plot_aggregated_uptake_structure(
aggregated_dat,
differential = FALSE,
fractional = TRUE,
theoretical = FALSE,
time_t,
pdb_file_path
)
Arguments
- aggregated_dat
aggregated data, either for single uptake or differential
- differential
indicator if the aggregated_dat contains differential results
- fractional
indicator if fractional values are used
- theoretical
indicator if theoretical values are used
- time_t
time point from aggregated_dat to be shown on the strucutre
- pdb_file_path
file path to the pdb file
Examples
diff_uptake_dat <- create_diff_uptake_dataset(alpha_dat)
diff_aggregated_dat <- create_aggregated_diff_uptake_dataset(diff_uptake_dat)
plot_aggregated_uptake_structure(diff_aggregated_dat,
differential = TRUE,
time_t = 1,
pdb_file_path = pdb_file_path)
#> Error: object 'pdb_file_path' not found
kin_dat <- create_uptake_dataset(alpha_dat, states = "Alpha_KSCN" )
aggregated_dat <- create_aggregated_uptake_dataset(kin_dat)
plot_aggregated_uptake_structure(aggregated_dat,
differential = FALSE,
time_t = 1,
pdb_file_path = pdb_file_path)
#> Error: object 'pdb_file_path' not found