cmf_view_mol_field_cofield: View molecule, co-field and field
In conmolfields: Continuous molecular fields

View molecule, co-field and field

cmf_view_mol_field_cofield(
  mdb_fname, 
  imol,                                  
  ft,
  grid_fname, 
  alpha_from_model, 
  model_fname, 
  alpha, 
  rlevel,                             
  alpha_g,                             
  draw_field,                         
  draw_cofield,                       
  draw_overlap
)

`mdb_fname`	"ligands-train.mol2"
`imol`	1
`ft`	"q"
`grid_fname`	"ligands-grid-krr.RData"
`alpha_from_model`	FALSE
`model_fname`	"ligands-model.RData"
`alpha`	0.3
`rlevel`	0.3
`alpha_g`	0.7
`draw_field`	TRUE
`draw_cofield`	TRUE
`draw_overlap`	FALSE

if(FALSE)
{
# View overlapping fields of regression coefficients and molecular fields

#source("cmf-view-mol-field-cofield.R")

# Molecular database file name
mdb_fname <- "ligands-train.mol2"

# Molecule to visualize
imol <- 1

# Field type 
ft <- "vdw"

# Take alpha from model? (TRUE/FALSE)
alpha_from_model <- TRUE

# Model file name
model_fname <- "ligands-model.RData"


# Alpha value (if not taken from model)
alpha <- 1.0

# Isosurface level
rlevel <- 0.5

# Alpha (non-transperancy) level
alpha_g <- 0.5

cmf_view_mol_field_cofield(
  mdb_fname = mdb_fname, 
  imol = imol, 
  ft = ft, 
  grid_fname = "ligands-grid-krr.RData",
  alpha_from_model = alpha_from_model, 
  model_fname = model_fname, 
  alpha = alpha, 
  rlevel = rlevel, 
  alpha_g = alpha_g,
  draw_field = TRUE,
  draw_cofield = FALSE,
  draw_overlap = FALSE
)

}