# -----------------------------------------------------------------------------
# Open PDB file, make multiscale model, and export 3d scene.
#
# Allowed export formats are POV-Ray, RenderMan, X3D, VRML, and OBJ.
# OBJ format requires installing the separate ExportOBJ Chimera plug-in
# from the Chimera experimental features web page.
#
def export_pdb_as_multiscale(pdb_path, resolution, export_format, export_path):

  # Open PDB
  from chimera import openModels as om
  mlist = om.open(pdb_path)

  # Create multiscale model
  from MultiScale import multiscale_model_dialog
  d = multiscale_model_dialog(create = True)
  d.surface_resolution.set('%g' % resolution)
  # For copies of molecule: d.multimer_none, d.multimer_unitcell
  d.multimer_type.set(d.multimer_biounit)
  d.make_multimers(mlist)

  # Export scene.
  if export_format == 'OBJ':
    import ExportOBJ
    ExportOBJ.write_surfaces_as_wavefront_obj(export_path)
  else:
    from chimera import exports
    exports.doExportCommand(export_format, export_path)
  
  # Close files
  from chimera import closeSession
  closeSession()
  
# -----------------------------------------------------------------------------
# Export multiscale surface models for all PDB files in a directory.
#
def export_pdbs(dir, resolution, export_format, export_suffix):

  from os import listdir
  filenames = [n for n in listdir(dir) if n.endswith('.pdb')]
  from os.path import join
  for f in filenames:
    pdb_path = join(dir, f)
    export_path = join(dir, f.rstrip('.pdb') + export_suffix)
    export_pdb_as_multiscale(pdb_path, resolution, export_format, export_path)

# -----------------------------------------------------------------------------
# Formats: 'VRML', 'OBJ', 'POV-Ray', 'RenderMan', 'X3D'
#
export_pdbs(dir = '/tmp/pdbfiles',       # location of PDB files
            resolution = 3,
            export_format = 'VRML', 
            export_suffix = '.vrml')