IMP  2.0.0
The Integrative Modeling Platform
simulate_density_from_pdb.py
1 #!/usr/bin/env python
2 
3 import IMP.em
4 
5 def main():
6  IMP.base.set_log_level(IMP.base.SILENT)
7  usage = """%prog [options] <complex.pdb>
8  <output: density.mrc> <resolution> <a/pix>
9 
10 Samples a protein into a simulated 3D density map."""
11  parser = IMP.OptionParser(usage=usage, imp_module=IMP.em)
12  (options, args) = parser.parse_args()
13  if len(args) != 4:
14  parser.error("incorrect number of arguments")
15  pdb_fn=args[0]
16  mrc_fn=args[1]
17  resolution=float(args[2])
18  apix=float(args[3])
19  #read the protein
20  mdl=IMP.Model()
23  #sample the density
24  dmap = IMP.em.particles2density(IMP.core.get_leaves(mh),resolution,apix)
26 
27 if __name__ == "__main__":
28  main()