Discussion:
[Open Babel] Cannot use readstring() or readfile()
phuongdnp
2017-03-03 21:27:00 UTC
Permalink
I have tried installing different version of python (2.7, 3.3, 3.6) and
openbabel (2.3, 2.4) (Win 32bit) following these steps:
- Install python
- Install pip
- Install pybel module
- Install openbabel GUI and also openbabel module
- Add the Environment variables to python folders
I can use "import pybel" and "import openbabel" but when I run the examples
(mol = readstring("smi", "CCCC") or readfile()) there always is an error
"name 'readstring' is not defined"
I have also tried other windows pc but the same thing happened.
Please help me to fix this. I appreciate very much.



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Fredrik Wallner
2017-03-05 19:50:18 UTC
Permalink
Hi,

If you do “import pybel” you have to use the module name for the readstring command, ie. pybel.readstring(). Another option is to do “from pybel import readstring”, depending on your use case.

Kind regards,
Fredrik

On 5 mars 2017 20:25 +0100, phuongdnp <***@yahoo.com>, wrote:
> I have tried installing different version of python (2.7, 3.3, 3.6) and
> openbabel (2.3, 2.4) (Win 32bit) following these steps:
> - Install python
> - Install pip
> - Install pybel module
> - Install openbabel GUI and also openbabel module
> - Add the Environment variables to python folders
> I can use "import pybel" and "import openbabel" but when I run the examples
> (mol = readstring("smi", "CCCC") or readfile()) there always is an error
> "name 'readstring' is not defined"
> I have also tried other windows pc but the same thing happened.
> Please help me to fix this. I appreciate very much.
>
>
>
> --
> View this message in context: http://forums.openbabel.org/Cannot-use-readstring-or-readfile-tp4659795.html
> Sent from the General discussion mailing list archive at Nabble.com.
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, SlashDot.org! http://sdm.link/slashdot
> _______________________________________________
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> OpenBabel-***@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Noel O'Boyle
2017-03-14 17:16:54 UTC
Permalink
"pip install openbabel" not "pip install pybel"

On 3 March 2017 at 21:27, phuongdnp <***@yahoo.com> wrote:
> I have tried installing different version of python (2.7, 3.3, 3.6) and
> openbabel (2.3, 2.4) (Win 32bit) following these steps:
> - Install python
> - Install pip
> - Install pybel module
> - Install openbabel GUI and also openbabel module
> - Add the Environment variables to python folders
> I can use "import pybel" and "import openbabel" but when I run the examples
> (mol = readstring("smi", "CCCC") or readfile()) there always is an error
> "name 'readstring' is not defined"
> I have also tried other windows pc but the same thing happened.
> Please help me to fix this. I appreciate very much.
>
>
>
> --
> View this message in context: http://forums.openbabel.org/Cannot-use-readstring-or-readfile-tp4659795.html
> Sent from the General discussion mailing list archive at Nabble.com.
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, SlashDot.org! http://sdm.link/slashdot
> _______________________________________________
> OpenBabel-discuss mailing list
> OpenBabel-***@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
t***@lyonstech.net
2017-03-16 11:06:13 UTC
Permalink
Hi Guys,

We have basically the same challenge - which is not answered by the initial
response from Frederick.

As you will note from the error message in the subsequent email, readfile
and readstring are reported as not being members of pybel. So using
pybell.readfile does not work. From your email Frederick, you clearly think
is would normally be a member. So there seems an issue in picking up the
information.

At my end we have tried numerous approaches to try and resolve this. The
openbabel gui works, openbabel, and pybel import happily but, wherever one
looks one cannot find readfile or readstring.

Unfortunately this is a showstopper so any pointers as to how to fix it
would be much appreciated. We have the most up to date versions of pip,
setuptools, wheel, etc.

Thanks

Terry




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Noel O'Boyle
2017-03-18 15:16:21 UTC
Permalink
Did you try my suggestion?

On 18 Mar 2017 3:06 p.m., "***@lyonstech.net" <***@lyonstech.net>
wrote:

> Hi Guys,
>
> We have basically the same challenge - which is not answered by the initial
> response from Frederick.
>
> As you will note from the error message in the subsequent email, readfile
> and readstring are reported as not being members of pybel. So using
> pybell.readfile does not work. From your email Frederick, you clearly think
> is would normally be a member. So there seems an issue in picking up the
> information.
>
> At my end we have tried numerous approaches to try and resolve this. The
> openbabel gui works, openbabel, and pybel import happily but, wherever one
> looks one cannot find readfile or readstring.
>
> Unfortunately this is a showstopper so any pointers as to how to fix it
> would be much appreciated. We have the most up to date versions of pip,
> setuptools, wheel, etc.
>
> Thanks
>
> Terry
>
>
>
>
> --
> View this message in context: http://forums.openbabel.org/
> Cannot-use-readstring-or-readfile-tp4659795p4659829.html
> Sent from the General discussion mailing list archive at Nabble.com.
>
> ------------------------------------------------------------
> ------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> OpenBabel-discuss mailing list
> OpenBabel-***@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>
Terry Lyons
2017-03-18 19:02:18 UTC
Permalink
Yes, I did

python -m pip install openbabel

I guess that is why I was able to import openbabel into Python.

Does the install order matter?

On 18 Mar 2017, at 15:17, Noel O'Boyle <***@gmail.com<mailto:***@gmail.com>> wrote:

Did you try my suggestion?

On 18 Mar 2017 3:06 p.m., "***@lyonstech.net<mailto:***@lyonstech.net>" <***@lyonstech.net<mailto:***@lyonstech.net>> wrote:
Hi Guys,

We have basically the same challenge - which is not answered by the initial
response from Frederick.

As you will note from the error message in the subsequent email, readfile
and readstring are reported as not being members of pybel. So using
pybell.readfile does not work. From your email Frederick, you clearly think
is would normally be a member. So there seems an issue in picking up the
information.

At my end we have tried numerous approaches to try and resolve this. The
openbabel gui works, openbabel, and pybel import happily but, wherever one
looks one cannot find readfile or readstring.

Unfortunately this is a showstopper so any pointers as to how to fix it
would be much appreciated. We have the most up to date versions of pip,
setuptools, wheel, etc.

Thanks

Terry




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Noel O'Boyle
2017-03-18 21:59:26 UTC
Permalink
Take a look at pybel.py. The location is given by "print
pybel.__file__" after importing it. Does it have readstring? Our one
does.

On 18 March 2017 at 19:02, Terry Lyons <***@lyonstech.net> wrote:
> Yes, I did
>
> python -m pip install openbabel
>
> I guess that is why I was able to import openbabel into Python.
>
> Does the install order matter?
>
> On 18 Mar 2017, at 15:17, Noel O'Boyle <***@gmail.com> wrote:
>
> Did you try my suggestion?
>
> On 18 Mar 2017 3:06 p.m., "***@lyonstech.net" <***@lyonstech.net>
> wrote:
>>
>> Hi Guys,
>>
>> We have basically the same challenge - which is not answered by the
>> initial
>> response from Frederick.
>>
>> As you will note from the error message in the subsequent email, readfile
>> and readstring are reported as not being members of pybel. So using
>> pybell.readfile does not work. From your email Frederick, you clearly
>> think
>> is would normally be a member. So there seems an issue in picking up the
>> information.
>>
>> At my end we have tried numerous approaches to try and resolve this. The
>> openbabel gui works, openbabel, and pybel import happily but, wherever one
>> looks one cannot find readfile or readstring.
>>
>> Unfortunately this is a showstopper so any pointers as to how to fix it
>> would be much appreciated. We have the most up to date versions of pip,
>> setuptools, wheel, etc.
>>
>> Thanks
>>
>> Terry
>>
>>
>>
>>
>> --
>> View this message in context:
>> http://forums.openbabel.org/Cannot-use-readstring-or-readfile-tp4659795p4659829.html
>> Sent from the General discussion mailing list archive at Nabble.com.
>>
>>
>> ------------------------------------------------------------------------------
>> Check out the vibrant tech community on one of the world's most
>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>> _______________________________________________
>> OpenBabel-discuss mailing list
>> OpenBabel-***@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
t***@lyonstech.net
2017-03-19 20:09:53 UTC
Permalink
Hi,

When I execute your suggested command I do not get pybel.py instead I get the path to __init__.py . This is the case with two independent versions of python. No mention of these missing methods.

T

X64:
C:\Program Files\Python35>python
Python 3.5.2 (v3.5.2:4def2a2901a5, Jun 25 2016, 22:18:55) [MSC v.1900 64 bit (AMD64)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> import pybel
>>> print (pybel.__file__)
C:\Program Files\Python35\lib\site-packages\pybel\__init__.py
>>>

Win32:
>python
Python 3.5.2 (v3.5.2:4def2a2901a5, Jun 25 2016, 22:01:18) [MSC v.1900 32 bit (Intel)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> import pybel
>>> print(pybel.__file__)
C:\ProgramData\chocolatey\lib\python3-x86_32\tools\lib\site-packages\pybel\__init__.py

From: Noel O'Boyle [via Open Babel] [mailto:ml-node+***@n4.nabble.com]
Sent: 18 March 2017 21:53
To: Terry Lyons <***@lyonstech.net>
Subject: Re: Cannot use readstring() or readfile()

Take a look at pybel.py. The location is given by "print
pybel.__file__" after importing it. Does it have readstring? Our one
does.

On 18 March 2017 at 19:02, Terry Lyons <[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=0>> wrote:

> Yes, I did
>
> python -m pip install openbabel
>
> I guess that is why I was able to import openbabel into Python.
>
> Does the install order matter?
>
> On 18 Mar 2017, at 15:17, Noel O'Boyle <[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=1>> wrote:
>
> Did you try my suggestion?
>
> On 18 Mar 2017 3:06 p.m., "[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=2>" <[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=3>>
> wrote:
>>
>> Hi Guys,
>>
>> We have basically the same challenge - which is not answered by the
>> initial
>> response from Frederick.
>>
>> As you will note from the error message in the subsequent email, readfile
>> and readstring are reported as not being members of pybel. So using
>> pybell.readfile does not work. From your email Frederick, you clearly
>> think
>> is would normally be a member. So there seems an issue in picking up the
>> information.
>>
>> At my end we have tried numerous approaches to try and resolve this. The
>> openbabel gui works, openbabel, and pybel import happily but, wherever one
>> looks one cannot find readfile or readstring.
>>
>> Unfortunately this is a showstopper so any pointers as to how to fix it
>> would be much appreciated. We have the most up to date versions of pip,
>> setuptools, wheel, etc.
>>
>> Thanks
>>
>> Terry
>>
>>
>>
>>
>> --
>> View this message in context:
>> http://forums.openbabel.org/Cannot-use-readstring-or-readfile-tp4659795p4659829.html
>> Sent from the General discussion mailing list archive at Nabble.com.
>>
>>
>> ------------------------------------------------------------------------------
>> Check out the vibrant tech community on one of the world's most
>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>> _______________________________________________
>> OpenBabel-discuss mailing list
>> [hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=4>
>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

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__init__.py (2K) <http://forums.openbabel.org/attachment/4659837/0/__init__.py>




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Noel O'Boyle
2017-03-19 21:46:51 UTC
Permalink
Right so - that's not our Pybel then. We have one file, pybel.py,
containing readstring.

I think you have installed pyBEL (the python interface to BEL) with
"pip install pybel". It's starting to get annoying that another newer
project has adopted the same name. Uninstall it, e.g. by removing the
pybel folder, or maybe there's some way to do it with pip, or just
rename the folder to wrongpybel. Feel free to lodge a complaint for
time wasted with the other project, and ask them to rename.

On 19 March 2017 at 20:09, ***@lyonstech.net <***@lyonstech.net> wrote:
> Hi,
>
> When I execute your suggested command I do not get pybel.py instead I get the path to __init__.py . This is the case with two independent versions of python. No mention of these missing methods.
>
> T
>
> X64:
> C:\Program Files\Python35>python
> Python 3.5.2 (v3.5.2:4def2a2901a5, Jun 25 2016, 22:18:55) [MSC v.1900 64 bit (AMD64)] on win32
> Type "help", "copyright", "credits" or "license" for more information.
>>>> import pybel
>>>> print (pybel.__file__)
> C:\Program Files\Python35\lib\site-packages\pybel\__init__.py
>>>>
>
> Win32:
>>python
> Python 3.5.2 (v3.5.2:4def2a2901a5, Jun 25 2016, 22:01:18) [MSC v.1900 32 bit (Intel)] on win32
> Type "help", "copyright", "credits" or "license" for more information.
>>>> import pybel
>>>> print(pybel.__file__)
> C:\ProgramData\chocolatey\lib\python3-x86_32\tools\lib\site-packages\pybel\__init__.py
>
> From: Noel O'Boyle [via Open Babel] [mailto:ml-node+***@n4.nabble.com]
> Sent: 18 March 2017 21:53
> To: Terry Lyons <***@lyonstech.net>
> Subject: Re: Cannot use readstring() or readfile()
>
> Take a look at pybel.py. The location is given by "print
> pybel.__file__" after importing it. Does it have readstring? Our one
> does.
>
> On 18 March 2017 at 19:02, Terry Lyons <[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=0>> wrote:
>
>> Yes, I did
>>
>> python -m pip install openbabel
>>
>> I guess that is why I was able to import openbabel into Python.
>>
>> Does the install order matter?
>>
>> On 18 Mar 2017, at 15:17, Noel O'Boyle <[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=1>> wrote:
>>
>> Did you try my suggestion?
>>
>> On 18 Mar 2017 3:06 p.m., "[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=2>" <[hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=3>>
>> wrote:
>>>
>>> Hi Guys,
>>>
>>> We have basically the same challenge - which is not answered by the
>>> initial
>>> response from Frederick.
>>>
>>> As you will note from the error message in the subsequent email, readfile
>>> and readstring are reported as not being members of pybel. So using
>>> pybell.readfile does not work. From your email Frederick, you clearly
>>> think
>>> is would normally be a member. So there seems an issue in picking up the
>>> information.
>>>
>>> At my end we have tried numerous approaches to try and resolve this. The
>>> openbabel gui works, openbabel, and pybel import happily but, wherever one
>>> looks one cannot find readfile or readstring.
>>>
>>> Unfortunately this is a showstopper so any pointers as to how to fix it
>>> would be much appreciated. We have the most up to date versions of pip,
>>> setuptools, wheel, etc.
>>>
>>> Thanks
>>>
>>> Terry
>>>
>>>
>>>
>>>
>>> --
>>> View this message in context:
>>> http://forums.openbabel.org/Cannot-use-readstring-or-readfile-tp4659795p4659829.html
>>> Sent from the General discussion mailing list archive at Nabble.com.
>>>
>>>
>>> ------------------------------------------------------------------------------
>>> Check out the vibrant tech community on one of the world's most
>>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>>> _______________________________________________
>>> OpenBabel-discuss mailing list
>>> [hidden email]</user/SendEmail.jtp?type=node&node=4659836&i=4>
>>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>
> ------------------------------------------------------------------------------
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> __init__.py (2K) <http://forums.openbabel.org/attachment/4659837/0/__init__.py>
>
>
>
>
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> Sent from the General discussion mailing list archive at Nabble.com.
>
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phuongdo
2017-05-11 15:55:58 UTC
Permalink
Noel O'Boyle is right, there is another module pyBEL (you can check its
version is 0.5.5 or so).
All you need to do is uninstall it and make the biding again.



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t***@lyonstech.net
2017-05-15 19:53:09 UTC
Permalink
Yes he is; but I think that given that he already knows there is a package out there and installable with pip and the same name I feel he has little option but to produce a new unique alias for this internal name or cause a lot of wasted confused time.

I have had to change Python project names for exactly the same reason in the past. It is a case of first one there wins I am afraid, and there is no point getting huffed about it however miffed one is.

On 11 May 2017, at 17:09, phuongdo [via Open Babel] <ml+***@n4.nabble.com<mailto:ml+***@n4.nabble.com>> wrote:

Noel O'Boyle is right, there is another module pyBEL (you can check its version is 0.5.5 or so).
All you need to do is uninstall it and make the biding again.

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Noel O'Boyle
2017-05-18 13:37:12 UTC
Permalink
We are planning to address this issue. I note in passing that we were
first there...:-)

On 15 May 2017 at 20:53, ***@lyonstech.net <***@lyonstech.net> wrote:
> Yes he is; but I think that given that he already knows there is a package out there and installable with pip and the same name I feel he has little option but to produce a new unique alias for this internal name or cause a lot of wasted confused time.
>
> I have had to change Python project names for exactly the same reason in the past. It is a case of first one there wins I am afraid, and there is no point getting huffed about it however miffed one is.
>
> On 11 May 2017, at 17:09, phuongdo [via Open Babel] <ml+***@n4.nabble.com<mailto:ml+***@n4.nabble.com>> wrote:
>
> Noel O'Boyle is right, there is another module pyBEL (you can check its version is 0.5.5 or so).
> All you need to do is uninstall it and make the biding again.
>
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