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Raccoon2 in MGL_Tools?
http://mgl.scripps.edu/forum/viewtopic.php?f=31&t=2884
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Author:  smolnar [ Thu Feb 12, 2015 7:34 pm ]
Post subject:  Raccoon2 in MGL_Tools?

According to http://autodock.scripps.edu/resources/raccoon2/raccoon2 "Raccoon2 is included MGLTools from v.1.5.7-rc1 on.".

However, this is not thee case.

What is the current status of Raccoon2?

Thanks in advance.

Author:  Ruth Huey [ Mon Mar 23, 2015 10:01 pm ]
Post subject:  Re: Raccoon2 in MGL_Tools?

Latest builds of MGLTools (available here: mgltools.scripps.edu/downloads/latest) include Raccoon2.
After installation Raccoon2 will be found here: MGLToolsPckgs/CADD/Raccoon2

Author:  JonathanSaboury [ Mon Apr 13, 2015 6:49 am ]
Post subject:  Re: Raccoon2 in MGL_Tools?

How does one start Raccoon2 GUI?

I've located the folder, but not sure what to run. I assume it would be "./bin/raccoonLauncher" but it looks like python code and not an executable.

I've tried running "python ./bin/raccoonLauncher" but got the error:
Code:
Traceback (most recent call last):
  File "./raccoonLauncher", line 10, in <module>
    from CADD import Raccoon2
ImportError: No module named CADD

How would I run this? Thank you!

Author:  Ruth Huey [ Fri May 01, 2015 4:34 pm ]
Post subject:  Re: Raccoon2 in MGL_Tools?

In a terminal navigate to your MGLToolsPckgs directory.
Next copy-paste the following into your terminal:

../bin/pythonsh ./CADD/Raccoon2/bin/raccoonLauncher

Author:  Ash100 [ Mon Aug 01, 2016 8:14 am ]
Post subject:  Re: Raccoon2 in MGL_Tools?

I am using Raccoon2 with mgltools_x86_64Linux_latest and mgltool, 1.5.7.. In both forms i am unable to successfuly download my VS results. I am having the following 2 different messages.

With mgl1.5.7,

Error: 11
<type 'exceptions.TypeError'> Exception in Tk callback
Function: <function callit at 0x125c1410> (type: <type 'function'>)
Args: ()
Traceback (innermost last):
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/site-packages/Pmw/Pmw_1_3/lib/PmwBase.py", line 1747, in __call__
return apply(self.func, args)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/lib-tk/Tkinter.py", line 495, in callit
func(*args)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/gui/EF_resultprocessor.py", line 246, in start
stop=self.STOP)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/gui/RaccoonVsResults.py", line 119, in generateResults
self.writeLogJson(logfile)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/gui/RaccoonVsResults.py", line 219, in writeLogJson
hf.writejson(logname, self.results, compression)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/HelperFunctionsN3P.py", line 1377, in writejson
json.dump(data, fp)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/__init__.py", line 181, in dump
for chunk in iterable:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 428, in _iterencode
for chunk in _iterencode_dict(o, _current_indent_level):
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 436, in _iterencode
o = _default(o)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 178, in default
raise TypeError(repr(o) + " is not JSON serializable")
<type 'exceptions.TypeError'>: array([ -5.10200024, 6.40950012, -15.03433323], dtype=float32) is not JSON serializable


With mgltools_x86_64Linux2_latest, i receive the following error;

Error: 1
<type 'exceptions.TypeError'> Exception in Tk callback
Function: <function callit at 0xd7cf848> (type: <type 'function'>)
Args: ()
Traceback (innermost last):
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/site-packages/Pmw/Pmw_1_3/lib/PmwBase.py", line 1747, in __call__
return apply(self.func, args)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/lib-tk/Tkinter.py", line 495, in callit
func(*args)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/gui/EF_resultprocessor.py", line 246, in start
stop=self.STOP)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/gui/RaccoonVsResults.py", line 119, in generateResults
self.writeLogJson(logfile)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/gui/RaccoonVsResults.py", line 219, in writeLogJson
hf.writejson(logname, self.results, compression)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/MGLToolsPckgs/CADD/Raccoon2/HelperFunctionsN3P.py", line 1377, in writejson
json.dump(data, fp)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/__init__.py", line 181, in dump
for chunk in iterable:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 428, in _iterencode
for chunk in _iterencode_dict(o, _current_indent_level):
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 402, in _iterencode_dict
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 326, in _iterencode_list
for chunk in chunks:
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 436, in _iterencode
o = _default(o)
File "/home/ash/mgltools_x86_64Linux2_1.5.7rc1/lib/python2.7/json/encoder.py", line 178, in default
raise TypeError(repr(o) + " is not JSON serializable")
<type 'exceptions.TypeError'>: array([ -5.10200024, 6.40950012, -15.03433323], dtype=float32) is not JSON serializable

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