consult about FAFDrugs

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consult about FAFDrugs

Du Jiangfeng (BIOCH)
Dear Sir/Madame,
I am very glad to use the FAFDrugs for my research. However, I met a big problem, though I tried my best to solve it, I still failed. So I think I really need your help. The problem is:


when I run FAFDrugs, the result shows
/root/tree/FAFDrugs2/bin/Scanner.py:5: DeprecationWarning: The popen2 module is deprecated.  Use the subprocess module.
  import popen2

Traceback (most recent call last):
  File "/root/tree/FAFDrugs2/bin/FAFDrugs2.py", line 159, in <module>
    res_salt = Scanner.Desalting(output,molecule)
  File "/root/tree/FAFDrugs2/bin/Scanner.py", line 16, in Desalting
    if molecule.OBMol.StripSalts():
TypeError: OBMol_StripSalts expected 2 arguments, got 1

Hope to hear from you soon,
Kind regards,
    Jiangfeng Du, PhD Student
    Cardiovascular Research Institute Maastricht
    Department of Biochemistry
    P.O. Box 616
    6200 MD Maastricht
    The Netherlands
   
 
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Re: consult about FAFDrugs

Noel O'Boyle
Administrator
You should contact the authors of FAFDrugs.

- Noel

On 28 April 2010 10:20, Du Jiangfeng (BIOCH) <[hidden email]> wrote:

> Dear Sir/Madame,
> I am very glad to use the FAFDrugs for my research. However, I met a big problem, though I tried my best to solve it, I still failed. So I think I really need your help. The problem is:
>
>
> when I run FAFDrugs, the result shows
> /root/tree/FAFDrugs2/bin/Scanner.py:5: DeprecationWarning: The popen2 module is deprecated.  Use the subprocess module.
>  import popen2
>
> Traceback (most recent call last):
>  File "/root/tree/FAFDrugs2/bin/FAFDrugs2.py", line 159, in <module>
>    res_salt = Scanner.Desalting(output,molecule)
>  File "/root/tree/FAFDrugs2/bin/Scanner.py", line 16, in Desalting
>    if molecule.OBMol.StripSalts():
> TypeError: OBMol_StripSalts expected 2 arguments, got 1
>
> Hope to hear from you soon,
> Kind regards,
>    Jiangfeng Du, PhD Student
>    Cardiovascular Research Institute Maastricht
>    Department of Biochemistry
>    P.O. Box 616
>    6200 MD Maastricht
>    The Netherlands
>
>
> ------------------------------------------------------------------------------
> _______________________________________________
> OpenBabel-discuss mailing list
> [hidden email]
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>

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