Hi Ani,
On Mon, May 5, 2014 at 3:26 PM, <[email protected]> wrote:
> Hi to all list's members!
>
> I want to use the method MMFFGetMoleculeProperties()( here a link to docu
>
> http://www.rdkit.org/Python_Docs/rdkit.Chem.rdForceFieldHelpers-module.html#MMFFGetMoleculeProperties
> ).
>
> Here my very simple rdkit code:
> from rdkit import Chem
> from rdkit.Chem import AllChem
> from sys import argv
>
> suppl = Chem.SDMolSupplier(somepath)
>
> for mol in suppl:
> mp = AllChem.MMFFGetMoleculeProperties(mol)
>
> I always receive the following error:
> Traceback (most recent call last):
> File "forcefield.py", line 8, in <module>
> mp = AllChem.MMFFGetMoleculeProperties(mol)
> AttributeError: 'module' object has no attribute
> 'MMFFGetMoleculeProperties'
>
>
MMFFGetMoleculeProperties() has been part of the AllChem module since the
2012.09.1 release. Which version of the RDKit are you using?
-greg
> I have tried to import another modules like ChemicalForceFields and with
> calling the same line
> mp=ChemicalForceFields.MMFFGetMoleculeProperties(mol)
> I got the same error.
>
> What is wrong about my code?
>
> Thank you all in advance!
>
> Bests,
> Ani
>
>
>
> ------------------------------------------------------------------------------
> Is your legacy SCM system holding you back? Join Perforce May 7 to find
> out:
> • 3 signs your SCM is hindering your productivity
> • Requirements for releasing software faster
> • Expert tips and advice for migrating your SCM now
> http://p.sf.net/sfu/perforce
> _______________________________________________
> Rdkit-discuss mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
------------------------------------------------------------------------------
Is your legacy SCM system holding you back? Join Perforce May 7 to find out:
• 3 signs your SCM is hindering your productivity
• Requirements for releasing software faster
• Expert tips and advice for migrating your SCM now
http://p.sf.net/sfu/perforce
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
