Fix rdkit availability, prefer user/isomeric SMILES

In cases that the user specifies an isomeric SMILES, we want to use that
with rdkit. If the user does not specify a SMILES, we prefer the
isomeric one from PubChem over the canonical one, where stereochemistry
is not defined.

1 files changed, 9 insertions, 19 deletions

diff --git a/docs/index.html b/docs/index.html
index 70a25fd..68d3eef 100644
--- a/docs/index.html
+++ b/docs/index.html
@@ -5,22 +5,14 @@
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-    data as R objects. If Python and RDKit (&gt; 2015.03) are installed and
-    configured for use with reticulate, some basic chemoinformatics functions
-    like the calculation of molecular weight and plotting of chemical
-    structures in R graphics are available.">
+<meta name="description" content="Utilities for dealing with chemical entities and associated data as R objects. If Python and RDKit (&gt; 2015.03) are installed and configured for use with reticulate, some basic chemoinformatics functions like the calculation of molecular weight and plotting of chemical structures in R graphics are available.">
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-<meta property="og:description" content="Utilities for dealing with chemical entities and associated
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-    configured for use with reticulate, some basic chemoinformatics functions
-    like the calculation of molecular weight and plotting of chemical
-    structures in R graphics are available.">
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