update last

diff.ipynb

@@ -591,6 +591,37 @@
    "metadata": {},
    "outputs": [],
    "source": []
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "2024-03-07 \n",
+    "['5ksa', '1g6r', '6bga', '6u3n', '1zgl', '7l1d', '3qiu', '2ypl', '7z50', '6uln', '1mwa', '4z7v', '4ozi', '7rrg', '6uk4', '4p2o', '6vm8', '5ksb'] 重新建模\n",
+    "1g6r: Align 对齐过程中，序列编号出错导致残基缺失，进而导致MD模拟后续失败\n",
+    "6u3n: A开头地方与B链的碰撞\n",
+    "6uk4: 结构分散（不适合模拟）\n",
+    "6uln: 结构分散（不适合模拟）\n",
+    "6vm8: 结构分散（不适合模拟）\n",
+    "7l1d: 无碰撞，结构分散（不适合模拟）\n",
+    "7rrg: 无碰撞，结构分散（不适合模拟）\n",
+    "7z50: A与B链的碰撞\n",
+    "1mwa: B链116缺失\n",
+    "1zgl: M链122,123缺失\n",
+    "2ypl: D链124E链121碰撞\n",
+    "3qiu: A与B链的碰撞\n",
+    "4ozi: A链72位与B链5位（β折叠）碰撞\n",
+    "4p2o: A链67位与B链4位碰撞\n",
+    "4z7v: C链96位与D链105碰撞\n",
+    "5ksa: 缺失过多导致修复后loop过多（不适合模拟）\n",
+    "5ksb: C链83位与D链5位碰撞\n",
+    "6bga: B链137，138虚线缺失\n"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": []
   }
  ],
  "metadata": {