[gmx-users] ACPYPE FAILED: 'MolTopol' object has no attribute 'chiralGroups'

[Mahboobeh Eslami]

dear alan
The error has been resolved
I thought Babel is required for the pdb file not for mol2.
Thank you. Good luck





On Wednesday, November 27, 2013 10:38 PM, Alan <alanwilter at gmail.com> wrote:
 
I haven’t upload the fix, but essentially, if you install openbabel, these error would disappear.

Alan



On 27 November 2013 18:48, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com> wrote:

hi my friends, please help me
>
>i use acpype for my ligand
>
>but i get following error:
>
>ACPYPE FAILED: 'MolTopol' object has no attribute 'chiralGroups'
>
>thanks
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-- 

Alan Wilter SOUSA da SILVA, DSc
Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588