C21[C@@H]1C[C@H]3[C@H]2O[C@H]21
C1[C@@H]2[C@H]3O[C@H]3[C@H]1C13OC21[C@@H]1C[C@H]3[C@@H]2O[C@@H]21
Rigards,
Rintarou
On 2017/02/07 14:42, Greg Landrum wrote:
> Hi Rintarou,
>
> On Tue, Feb 7, 2017 at 6:23 AM, Suzuki, Rintarou <rsuz...@affrc.go.jp>
>
t;> ff.Minimize()
0
>>> Chem.AssignAtomChiralTagsFromStructure(m)
>>> Chem.FindMolChiralCenters( copy(m), includeUnassigned=True )
[(1, 'S'), (2, 'S'), (4, 'R'), (5, 'R'), (6, '?'), (8, '?'), (9, 'R'), (11,
'S'), (12, 'S'), (14, 'R')]
-
How
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