THQ_aligment.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit.Chem import rdMolAlign,rdFMCS\n",
    "\n",
    "import itertools\n",
    "import numpy as np\n",
    "import matplotlib as mt\n",
    "from matplotlib import pyplot as plt\n",
    "from matplotlib import pylab"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "thq='../CD44_crystal_structures/THQ.sdf'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [23:19:33] Can't kekulize mol.  Unkekulized atoms: 5 10 13 14 15\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [23:19:33] ERROR: Could not sanitize molecule ending on line 771\n",
      "RDKit ERROR: [23:19:33] ERROR: Can't kekulize mol.  Unkekulized atoms: 5 10 13 14 15\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [23:19:33] Can't kekulize mol.  Unkekulized atoms: 4 10 12 15 16\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [23:19:33] ERROR: Could not sanitize molecule ending on line 815\n"
     ]
    }
   ],
   "source": [
    "name=[]\n",
    "for mol in Chem.SDMolSupplier(thq):\n",
    "    if mol != None:\n",
    "        name.append (mol)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "19"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(name)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "c=itertools.combinations(name,2)\n",
    "unq=list(set (c))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "for i,j in unq:\n",
    "    res=rdFMCS.FindMCS([i,j])\n",
    "    atoms_a=i.GetSubstructMatch(Chem.MolFromSmiles('C1CC2=C(CN1)C=CC=C2'))\n",
    "    atoms_b=j.GetSubstructMatch(Chem.MolFromSmiles('C1CC2=C(CN1)C=CC=C2'))\n",
    "    atom_map=zip(atoms_a,atoms_b)\n",
    "    rmsd=rdMolAlign.AlignMol(i,j,atomMap=list(atom_map))\n",
    "    print (i.GetProp('_Name').split('_')[0],' vs ',j.GetProp('_Name').split('_')[0],' : ', rmsd)\n",
    "    print ('-------------')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [],
   "source": [
    "x=len(name)\n",
    "hmap=np.ndarray (shape=(x,x))\n",
    "for i in range(len(name)):\n",
    "    for j in range(len(name)):\n",
    "        res=rdFMCS.FindMCS([name[i],name[j]])\n",
    "        atoms_a=name[i].GetSubstructMatch(Chem.MolFromSmiles('C1CC2=C(CN1)C=CC=C2'))\n",
    "        atoms_b=name[j].GetSubstructMatch(Chem.MolFromSmiles('C1CC2=C(CN1)C=CC=C2'))\n",
    "        atom_map=zip(atoms_a,atoms_b)\n",
    "        rmsd=rdMolAlign.AlignMol(name[i],name[j],atomMap=list(atom_map))\n",
    "        hmap[i,j]=rmsd"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 864x864 with 2 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "fig, ax = plt.subplots(figsize=(12,12))\n",
    "plt.imshow (hmap,cmap='Oranges',interpolation='nearest', vmin=0, vmax=2)\n",
    "plt.xticks (range(len(name)),[i.GetProp('_Name').split('_')[0] for i in name],rotation=90,fontsize=18)\n",
    "plt.yticks (range(len(name)),[i.GetProp('_Name').split('_')[0] for i in name])\n",
    "ax.xaxis.tick_top()\n",
    "m=plt.colorbar(shrink=0.7,orientation='horizontal',spacing='uniform',pad=0.02)\n",
    "m.ax.tick_params(labelsize=14) \n",
    "m.set_label ('RMSD',size=18)\n",
    "#plt.clim(0,0.25)\n",
    "plt.tick_params ('both',width=2,labelsize=16)\n",
    "plt.savefig('../CD44_crystal_structures/THQ_hmap_2.png',quality=95,dpi=300,format='png',transparent=False)\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Chem_3",
   "language": "python",
   "name": "chem_3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.7.7"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 4
}