You can solve it by adding the following line in the msms_pymol.py you
downloaded from Robert's page to line 133, right before msms_cmd is defined.
if msms_path.startswith('C:/'): msms_path = '\"%s\"' % (msms_path,)
Basically, your problem was caused by the whitespace in the path to the
MSMS executable file in Windows systems. By adding quotes to the full
path solves the problem.
regards,
hongbo
On 5/12/2010 1:00 PM, sujuan wang wrote:
Dear Robert,
I downloaded the msms 2.6.1 from
http://mgltools.scripps.edu/downloads#msms and installed into
C:\Program Files\MSMS. But there are still something wrong after
running the script:
There seems to be a problem with the msms output
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
<http://layer.kw>[0],layer.args,layer.kw_args)
File "C:/Program Files/DeLano Scientific/PyMOL/msms_pymol.py", line
282, 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
159, in calc_msms
sys.exit(1)
SystemExit: 1
My pymol version is 1.1r1 with python 2.4.2 (#67, Sep 28 2005,
12:41:11) [MSC v.1310 32 bit (Intel)]
As a beginner of pymol, thank you for your kindly help.
regards
Sujuan
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