keep working on dortmund

prueba.ipynb

@@ -0,0 +1,109 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from rdkit import Chem\n",
+    "\n",
+    "from ugropy import Groups"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "a = Groups(\"1-propanol\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "((3,),)"
+      ]
+     },
+     "execution_count": 20,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "a.chem_object.GetSubstructMatches(\n",
+    "    Chem.MolFromSmarts(\"[$([OH][CH2][*]),$([OH][CH][*][!#6]),$([OH][CH0][*][!#6][!#6])]\")\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 21,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": "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",
+      "text/plain": [
+       "<rdkit.Chem.rdchem.Mol at 0x7fcfec31f530>"
+      ]
+     },
+     "execution_count": 21,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "a.chem_object"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "{'CH3': 1, 'CH2': 2, 'OH': 1}"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "a.psrk_groups"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "ugropy",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.6"
+  },
+  "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}