[Biopython] ResidueDepth msms.exe has stopped working
Ahmad Abdelzaher
underoath006 at gmail.com
Sat Apr 8 18:18:24 UTC 2017
I'm using python 3.5 (Anaconda) on windows 8.1.
Regards.
On Sat, Apr 8, 2017 at 8:16 PM, João Rodrigues <
j.p.g.l.m.rodrigues at gmail.com> wrote:
> According to the source code, that AssertionError should give you the full
> command: MSMS + " -probe_radius 1.5 -if %s -of %s > " + tempfile.mktemp()
>
> What version of Python are you running? I had some issues with tempfiles
> recently on Windows 10, so that might be the problem here too.
>
> 2017-04-08 11:09 GMT-07:00 Ahmad Abdelzaher <underoath006 at gmail.com>:
>
>> Thank you for your reply. Although I'm not sure how it works because I
>> just downloaded it for the first time, I looked it up briefly and found
>> some commands here that I ran successfully below.
>>
>> http://mgl.scripps.edu/people/sanner/html/msms_man.html
>>
>> As you can see, it's version 2.6.1 and looks like it runs normally. I
>> would appreciate if you told me how to generate a .xyzr from a .pdb though.
>>
>> Regards.
>>
>>
>> C:\Users\Ahmad\Documents\Spyder\Senior Project\Senior 2\RD>msms -if
>>> 1crn.xyzr -d
>>> e 3.0 -prob 1.4 -of myset
>>> MSMS 2.6.1 started on Local PC
>>> Copyright M.F. Sanner (1994)
>>> Compilation flags
>>> INPUT 1crn.xyzr 327 spheres 0 collision only, radii 1.400 to 2.000
>>> PARAM Probe_radius 1.400 density 3.000 hdensity 3.000
>>> ANALYTICAL SURFACE AREA :
>>> Comp. probe_radius, reent, toric, contact SES SAS
>>> 0 1.400 459.878 904.748 977.802 2342.427 3030.759
>>> NUMERICAL VOLUMES AND AREA
>>> Comp. probe_radius SES_volume SES_area)
>>> 0 1.40 5150.775 2306.089
>>> Total ses_volume: 5150.775
>>> MSMS terminated normally
>>> C:\Users\Ahmad\Documents\Spyder\Senior Project\Senior 2\RD>
>>
>>
>> On Sat, Apr 8, 2017 at 7:55 PM, João Rodrigues <
>> j.p.g.l.m.rodrigues at gmail.com> wrote:
>>
>>> Hi Ahmad,
>>>
>>> What version of msms are you using? Can you run the program outside of
>>> Biopython to obtain the surface file?
>>>
>>> Cheers,
>>>
>>> João
>>>
>>
>>
>
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