diff --git a/app/misc.ini b/app/misc.ini index c474556..9587e56 100644 --- a/app/misc.ini +++ b/app/misc.ini @@ -13,4 +13,15 @@ DB02 = Unknown Hostname, failed to connect to the database. CW01 = Looks like an invalid PDB ID -PC00 = Could not find any compound on PubChem matching the query. \ No newline at end of file +PC00 = Could not find any compound on PubChem matching the query. + +RD00 = Failed to import RDKit. +RD01 = Could not convert SMILES to molecule, please check the SMILES + +[ALERT_SMARTS] +ESTER = [#6][CX3](=O)[OX2H0][#6] +ANILINE = [NX3][$(C=C),$(cc)] + +[ALERT_DESCRIPTION] +ESTER = The given compound contains Ester. For more details read the paper. +ANILINE = None \ No newline at end of file diff --git a/app/templates/base.html b/app/templates/base.html index e4ae447..0936f80 100644 --- a/app/templates/base.html +++ b/app/templates/base.html @@ -29,6 +29,15 @@
Curie-Web is a part of The Curie Project which aims to make the process of Computer-Aided Drug Design as fast as possible.
The following are the currently active modules
-Property | +Value | +
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{{x}} | +{{prop[x]}} | +