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
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