Hi All,
When I run the script download from http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/, I issue the commond: calc_msms_area 2mlt-melittin, there are always something wrong as follows:
 
CmdLoad: "D:/singapore-NTU/HU/modelling/2MLT-melittin.pdb" loaded as "2MLT-melittin".
PyMOL>run C:/Program Files/DeLano Scientific/PyMOL/msms_pymol.py
PyMOL>calc_msms_area 2MLT-melittin
Traceback (most recent call last):
  File "C:\Program Files\DeLano Scientific\PyMOL/modules\pymol\parser.py", line 250, in parse
    self.result=apply(layer.kw[0],layer.args,layer.kw_args)
  File "C:/Program Files/DeLano Scientific/PyMOL/msms_pymol.py", line 281, in calc_msms_area
    volume,area_dict,tmp_msms_vert_file,tmp_msms_face_file = calc_msms(object_name,probe,density,keep,debug)
  File "C:/Program Files/DeLano Scientific/PyMOL/msms_pymol.py", line 131, in calc_msms
    convert_pdb_to_xyzrn(tmp_pdb_file,tmp_xyzrn_file,atmnumbers_file)
  File "C:/Program Files/DeLano Scientific/PyMOL/msms_pymol.py", line 21, in convert_pdb_to_xyzrn
    lines = open(numfile).readlines()
IOError: [Errno 2] No such file or directory: ''
 
who can give me an example of this command? or something needed to change the option of script?
 
Thanks and best regards
 
Sujuan