Re: [Joelib-devel] Convert() & PseudoAtoms in Smiles

[Joerg K. W. <we...@in...>]

Hi Nicolas,

1. CDK->JOELib
Egon, can you have a look or are you busy?

2. R in SMILES
Is not allowed at the moment!
What expresses R in real life ? Is this analogue to the rGroup, which is 
allowed in SDF ?

Kind regards, Joerg

-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
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