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Patch/stereoapi2 #387

Merged
merged 5 commits into from Nov 29, 2017
Merged

Patch/stereoapi2 #387

merged 5 commits into from Nov 29, 2017

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johnmay
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@johnmay johnmay commented Nov 28, 2017

  • Change the API (not in current release) to make explicit the configuration order is being accessed.
  • Add more geometries supported by SMILES, and generate depictions
Cl[Pt@SP1](Cl)([NH3])[NH3] cis-platin
Cl[Pt@SP2](Cl)([NH3])[NH3] trans-platin

image image

O=N[Co@]([NH3])([NH3])([NH3])([NH3])N=O trans-[Co(NH3)4(NO)2]
O=N[Co@OH3]([NH3])([NH3])([NH3])([NH3])N=O cis-[Co(NH3)4(NO)2]
O=N[Co@](N=O)([NH3])([NH3])([NH3])N=O mer-[Co(NH3)3(NO)3]
O=N[Co@OH3](N=O)([NH3])([NH3])([NH3])N=O fac-[Co(NH3)3(NO)3]

image image image image

@egonw egonw merged commit 9dec975 into master Nov 29, 2017
@johnmay johnmay mentioned this pull request Dec 7, 2017
Merged
@johnmay johnmay deleted the patch/stereoapi2 branch March 18, 2018 20:36
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@johnmay @egonw