Dear all,
I'm would like tu use this following script to model with cryo-EM:
from modeller import *
log.verbose()
env = environ()
struct='./M60_9.pdb'
map='new_map.mrc'
resolution=10.2
box_size=48 # how to define the box size ??
apix=1.88
x=90; y=63; z=23 #origin
steps=20
# Read in cryo-EM density map
den = density(env, file=map, em_density_format='MRC',
voxel_size=apix, resolution=resolution, em_map_size=box_size,
density_type='GAUSS', px=x,py=y,pz=z)
# Fit the PDB file into the map by MC simulated annealing
den.grid_search(em_density_format='MRC', num_structures=1,
em_pdb_name=struct, chains_num=[1],
start_type='CENTER', number_of_steps=steps,
angular_step_size=30., temperature=100.,
best_docked_models=1, translate_type='RANDOM',
em_fit_output_file='modem.log')
But i got this error message:
_modeller.ModellerError: read_mrc_h_E> Density map must be cubic, and of dimension em_map_size (48): actual dimensions (40, 40, 36)