可生成任意聚合度线形聚合物结构、拓扑以及电荷的在线程序

milk_q · 发表于 Post on 2025-8-25 14:28:53

王纪峰发表于 2025-8-23 12:03
您的CO只有一个键接位点，无法满足“首尾相连”的条件，所有输入的SMILES必须包含且仅包含2个键接位点*， ...

我的CO是CH3O封端，一个位点是没问题的

牧生 · 发表于 Post on 2025-8-25 15:41:51

本帖最后由牧生于 2025-8-25 15:57 编辑

milk_q 发表于 2025-8-25 14:28
我的CO是CH3O封端，一个位点是没问题的

这个工具默认用H原子封端，不需要自己去考虑用什么封端。

况且对于研究一个长聚合物链的性质，端基是什么一点也不重要。

如果你非要指定端基，可以把你端基上那个甲基上的某个氢原子点为*，把氧原子画根线点上*，然后弄成嵌段聚合物，就这个端基选为1个重复。

milk_q · 发表于 Post on 2025-8-25 16:50:53

牧生发表于 2025-8-25 15:41
这个工具默认用H原子封端，不需要自己去考虑用什么封端。

况且对于研究一个长聚合物链的性质，端基是 ...

我的表述有问题不是用甲氧基封端，是mPEG它的最左段是CH3O-，但是这个单元它不是重复单元，O再接乙二醇的重复单元，这个CH3O要怎么写SMILES，以及聚乙二醇单元右侧CH2-CH2-NH-Tyr,这一部分的SMILES怎么书写，请教一下

牧生 · 发表于 Post on 2025-8-25 17:00:20

我做了一下

这里就是甲氧基在最左边了，没有问题。

你可以看一下我做的。
Your key is: gAAAAABorCBeVTNoeUopjYlao8PQ5tSkhS6mWbzjFlP-abWu_r3GQHePBHTobFU6jEv_UHuI1IUKqXqzoz01lLTr2dY-kUoUXRzxN2HABplFmA7QQloBtFcWFH_0n54bxFtu0L-LLCNTzkHlHgz4v8PnFqVZWR-9rg751d_PMC9_kYHEKGOjJ_ZFUNrkgqss5kEcb4kl2RDzg-_60XnCdp7LIqtXeybo6SaHwnEjjU6fJY467sFY9H2Wik6vWfwWqw7OXMIAP_z770QDLuEeFpsA8-Moi1fS3Gt-IkElXPwnDJulz0LEGqprs3fhrBx3qLTciv3jOsALbdL43njVfKk6cRNU4lKp56mMUFSFzbzjpqVwHeVSwXJGOzUYPr-N8grGDai1HjJSqB3AiL_WydH5eSnCZhfYgW-hp72RhsulI-8m__tDVVepNzW_zwXCk4F4VhbxOLTB

至于右边的末端是怎么样的，你可以照相同的方法去做。

王纪峰 · 发表于 Post on 2025-8-25 19:26:43

牧生发表于 2025-8-25 15:41
这个工具默认用H原子封端，不需要自己去考虑用什么封端。

况且对于研究一个长聚合物链的性质，端基是 ...

您给出的这个指定端基的方法非常简单有效，甚至开发的时候我都没有想到，感谢您给出了这个灵感

2788155831 · 发表于 Post on 2025-8-28 11:57:57

大佬,请问这是什么问题呢
SMILES:CC(C(OCCOP(OCC[N+](C)(C)C)([O-])=O)=O)([*])C[*],均聚, 聚合度10,名称:MAPC
Failed to run notebook: 3_create_Polymer_itp_top.ipynb
Return Code: 1
Standard Output:
Initial conformer count: 50
75 attempts,  5 duplicates, 21 failed filter.
0 0 0 0 0 0 0 0 0 0
0 0 0 0 2 2 0 0 0 0
2 7 0 11 4 1 0 1 5 0
2 11 0 8 4 1 0 1 5 0
2 11 0 8 3 1 0 1 5 0
2 11 0 8 0 1 3 1 9 0
2 11 2 8 0 1 3 1 9 0
2 11 1 8 0 2 3 1 9 0
2 11 1 8 0 2 3 1 2 0
2 11 1 8 1 2 4 1 9 2
2 11 1 8 1 2 4 1 9 1
2 11 2 8 1 2 4 1 9 1
2 11 2 8 1 2 3 1 9 1
2 11 2 8 1 2 0 1 9 1
0 11 2 8 2 2 0 1 9 1
0 11 2 8 1 2 0 2 9 1
0 11 2 8 2 2 0 2 9 1
2 11 2 8 2 2 1 2 9 1
0 8 2 8 2 2 1 2 9 1
0 1 2 8 4 2 1 2 9 1
1 6 2 3 4 2 3 2 9 0
1 6 2 3 4 2 3 1 9 0
2 6 2 3 4 2 3 1 9 0
2 6 2 8 4 2 3 1 9 0
2 6 0 8 0 2 3 1 9 0
2 6 0 8 0 1 3 1 2 0
2 6 0 8 0 1 1 1 2 0
2 6 2 1 1 2 4 1 9 1
2 6 2 1 2 2 0 2 9 1
2 6 2 1 2 2 0 1 9 1
2 6 2 1 2 2 0 1 9 2
2 6 2 1 2 2 2 1 9 2
2 6 2 1 2 2 3 0 9 0
2 6 1 1 2 2 3 0 9 0
2 6 1 1 2 2 3 0 2 1
2 6 1 1 2 2 2 0 9 2
2 6 1 1 2 2 2 2 4 2
2 6 1 1 2 2 1 2 4 2
2 6 2 1 2 2 3 0 4 0
2 3 2 1 2 2 3 0 4 0
2 3 1 1 2 2 3 0 4 0
2 3 1 1 2 2 3 0 4 2
1 3 1 1 2 2 3 0 4 0
1 3 1 0 2 2 3 2 4 0
1 3 1 0 2 2 3 1 4 0
2 3 1 0 2 2 3 1 4 0
2 3 1 5 2 2 3 1 4 0
2 3 1 0 1 2 3 2 4 0
2 8 1 0 1 2 3 2 11 0
2 3 1 0 1 0 3 2 11 2

=====> Starting conformers search with a Genetic Algorithm <=====
Perform elitist generation replacement with mutation only
Mutation probability: 0.2
Will stop after 25 generations without improvement.

Generation #1  1.45357
Generation #2  1.5239
Generation #3  1.52817
Generation #4  1.56214
Generation #5  1.56214
Generation #6  1.56214
Generation #7  1.62632
Generation #8  1.62632
Generation #9  1.62632
Generation #10  1.62632
Generation #11  1.62632
Generation #12  1.62632
Generation #13  1.62632
Generation #14  1.62632
Generation #15  1.63665
Generation #16  1.63665
Generation #17  1.63665
Generation #18  1.64543
Generation #19  1.64543
Generation #20  1.64543
Generation #21  1.64543
Generation #22  1.64543
Generation #23  1.64543
Generation #24  1.64543
Generation #25  1.64543
Generation #26  1.64543
Generation #27  1.64543
Generation #28  1.64543
Generation #29  1.64543
Generation #30  1.64543
Generation #31  1.6512
Generation #32  1.6512
Generation #33  1.6512
Generation #34  1.6512
Generation #35  1.6512
Generation #36  1.6512
Generation #37  1.6512
Generation #38  1.6512
Generation #39  1.6512
Generation #40  1.65291
Generation #41  1.65291
Generation #42  1.65291
Generation #43  1.65291
Generation #44  1.65291
Generation #45  1.65291
Generation #46  1.65291
Generation #47  1.65291
Generation #48  1.65291
Generation #49  1.66003
Generation #50  1.66003
Generation #51  1.66003
Generation #52  1.66003
Generation #53  1.66003
Generation #54  1.66003
Generation #55  1.67593
Generation #56  1.67593
Generation #57  1.67593
Generation #58  1.67593
Generation #59  1.67593
Generation #60  1.67593
Generation #61  1.67593
Generation #62  1.67593
Generation #63  1.67593
Generation #64  1.67593
Generation #65  1.67593
Generation #66  1.67593
Generation #67  1.67593
Generation #68  1.67593
Generation #69  1.67593
Generation #70  1.67593
Generation #71  1.67593
Generation #72  1.67593
Generation #73  1.67593
Generation #74  1.67593
Generation #75  1.67593
Generation #76  1.67593
Generation #77  1.67593
Generation #78  1.67593
Generation #79  1.67593
Generation #80  1.67593
Generation #81  1.67593
0 11 2 1 0 0 1 0 9 2
1 2 1 11 2 0 4 0 11 2
2 7 0 4 4 2 4 0 9 2
1 2 0 5 0 2 3 1 10 1
2 0 2 5 0 2 3 1 2 0
1 3 1 0 2 0 4 2 9 2
2 11 0 3 1 0 4 0 9 2
2 7 0 4 1 2 4 2 9 2
1 2 2 11 3 0 3 0 4 0
1 0 2 5 0 2 3 1 2 0
2 6 2 7 2 0 4 2 4 0
2 6 0 1 2 2 0 0 5 0
2 6 0 1 2 0 0 0 5 0
1 6 1 3 0 2 3 1 2 2
0 11 0 3 0 2 3 0 9 1
2 11 0 4 1 2 4 2 9 2
0 6 0 1 2 2 0 0 9 1
1 11 0 2 0 2 3 0 11 0
2 11 0 4 1 2 4 0 9 2
1 11 1 5 0 2 3 1 2 0
0 6 0 1 3 1 0 2 5 1
0 9 0 11 2 2 0 2 5 1
2 9 2 3 1 2 4 1 3 2
0 11 1 3 0 2 3 0 2 1
1 11 0 5 0 1 3 1 2 1
1 11 1 5 3 2 3 0 2 0
0 5 0 1 0 1 1 2 3 1
1 11 0 2 0 2 1 1 2 2
0 11 0 5 3 2 3 0 2 0
2 6 2 2 2 2 0 2 3 0
1 11 2 8 3 2 3 0 9 0
0 11 0 1 2 0 0 0 5 0
1 6 2 3 0 2 3 1 2 2
1 6 2 3 0 0 0 0 11 1
0 6 2 1 2 2 1 0 5 2
0 11 0 5 0 2 3 1 2 1
1 11 2 5 0 1 3 1 2 1
0 11 2 1 0 2 1 0 9 1
2 1 2 8 2 1 4 2 4 0
2 2 1 3 2 2 4 2 4 2
0 9 2 6 1 0 4 2 0 2
1 11 2 8 3 1 3 1 9 0
0 5 1 5 0 2 3 1 2 0
0 9 2 3 1 2 4 0 3 2
1 11 1 5 0 1 3 1 5 0
0 11 2 1 2 2 1 0 5 0
0 11 0 5 4 1 3 1 2 1
0 5 2 4 0 2 3 0 1 1
1 9 2 11 2 2 3 2 4 0
2 6 1 2 2 2 0 2 3 0
GetConformers:
0 11 2 1 0 0 1 0 9 2
1 2 1 11 2 0 4 0 11 2
2 7 0 4 4 2 4 0 9 2
1 2 0 5 0 2 3 1 10 1
2 0 2 5 0 2 3 1 2 0
1 3 1 0 2 0 4 2 9 2
2 11 0 3 1 0 4 0 9 2
2 7 0 4 1 2 4 2 9 2
1 2 2 11 3 0 3 0 4 0
1 0 2 5 0 2 3 1 2 0
2 6 2 7 2 0 4 2 4 0
2 6 0 1 2 2 0 0 5 0
2 6 0 1 2 0 0 0 5 0
1 6 1 3 0 2 3 1 2 2
0 11 0 3 0 2 3 0 9 1
2 11 0 4 1 2 4 2 9 2
0 6 0 1 2 2 0 0 9 1
1 11 0 2 0 2 3 0 11 0
2 11 0 4 1 2 4 0 9 2
1 11 1 5 0 2 3 1 2 0
0 6 0 1 3 1 0 2 5 1
0 9 0 11 2 2 0 2 5 1
2 9 2 3 1 2 4 1 3 2
0 11 1 3 0 2 3 0 2 1
1 11 0 5 0 1 3 1 2 1
1 11 1 5 3 2 3 0 2 0
0 5 0 1 0 1 1 2 3 1
1 11 0 2 0 2 1 1 2 2
0 11 0 5 3 2 3 0 2 0
2 6 2 2 2 2 0 2 3 0
1 11 2 8 3 2 3 0 9 0
0 11 0 1 2 0 0 0 5 0
1 6 2 3 0 2 3 1 2 2
1 6 2 3 0 0 0 0 11 1
0 6 2 1 2 2 1 0 5 2
0 11 0 5 0 2 3 1 2 1
1 11 2 5 0 1 3 1 2 1
0 11 2 1 0 2 1 0 9 1
2 1 2 8 2 1 4 2 4 0
2 2 1 3 2 2 4 2 4 2
0 9 2 6 1 0 4 2 0 2
1 11 2 8 3 1 3 1 9 0
0 5 1 5 0 2 3 1 2 0
0 9 2 3 1 2 4 0 3 2
1 11 1 5 0 1 3 1 5 0
0 11 2 1 2 2 1 0 5 0
0 11 0 5 4 1 3 1 2 1
0 5 2 4 0 2 3 0 1 1
1 9 2 11 2 2 3 2 4 0
2 6 1 2 2 2 0 2 3 0

Standard Error:
[NbConvertApp] Converting notebook /data/jupyternotebook_public/Project15_AI_ML_BMS_JZZ/cemp/media/Polymer/GeneratePolymer/20250828_103810_f737e6/3_create_Polymer_itp_top.ipynb to notebook
Traceback (most recent call last):
  File "/data/jiazheju/anaconda3/envs/cemp_env/bin/jupyter-nbconvert", line 10, in
sys.exit(main())
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/jupyter_core/application.py", line 283, in launch_instance
super().launch_instance(argv=argv, **kwargs)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/traitlets/config/application.py", line 1075, in launch_instance
app.start()
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/nbconvertapp.py", line 420, in start
self.convert_notebooks()
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/nbconvertapp.py", line 597, in convert_notebooks
self.convert_single_notebook(notebook_filename)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/nbconvertapp.py", line 563, in convert_single_notebook
output, resources = self.export_single_notebook(
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/nbconvertapp.py", line 487, in export_single_notebook
output, resources = self.exporter.from_filename(
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/exporters/exporter.py", line 201, in from_filename
return self.from_file(f, resources=resources, **kw)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/exporters/exporter.py", line 220, in from_file
return self.from_notebook_node(
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/exporters/notebook.py", line 36, in from_notebook_node
nb_copy, resources = super().from_notebook_node(nb, resources, **kw)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/exporters/exporter.py", line 154, in from_notebook_node
nb_copy, resources = self._preprocess(nb_copy, resources)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/exporters/exporter.py", line 353, in _preprocess
nbc, resc = preprocessor(nbc, resc)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/preprocessors/base.py", line 48, in __call__
return self.preprocess(nb, resources)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/preprocessors/execute.py", line 103, in preprocess
self.preprocess_cell(cell, resources, index)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbconvert/preprocessors/execute.py", line 124, in preprocess_cell
cell = self.execute_cell(cell, index, store_history=True)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
return loop.run_until_complete(inner)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/asyncio/base_events.py", line 647, in run_until_complete
return future.result()
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbclient/client.py", line 1062, in async_execute_cell
await self._check_raise_for_error(cell, cell_index, exec_reply)
  File "/data/jiazheju/anaconda3/envs/cemp_env/lib/python3.9/site-packages/nbclient/client.py", line 918, in _check_raise_for_error
raise CellExecutionError.from_cell_and_msg(cell, exec_reply_content)
nbclient.exceptions.CellExecutionError: An error occurred while executing the following cell:
------------------
# 创建使用原子名称{atom_type}_{name}代替索引与原子编号的copolymer的fake itp文件
generate_fake_itp_for_copolymer(df, polymer_node_list_path="polymer_node_list.json")

------------------

[0;31m---------------------------------------------------------------------------[0m
[0;31mFileNotFoundError[0m                      Traceback (most recent call last)
Cell [0;32mIn[21], line 2[0m
[1;32m    1[0m [38;5;66;03m# 创建使用原子名称{atom_type}_{name}代替索引与原子编号的copolymer的fake itp文件[39;00m
[0;32m----> 2[0m [43mgenerate_fake_itp_for_copolymer[49m[43m([49m[43mdf[49m[43m,[49m[43m [49m[43mpolymer_node_list_path[49m[38;5;241;43m=[39;49m[38;5;124;43m"[39;49m[38;5;124;43mpolymer_node_list.json[39;49m[38;5;124;43m"[39;49m[43m)[49m

Cell [0;32mIn[20], line 34[0m, in [0;36mgenerate_fake_itp_for_copolymer[0;34m(df, polymer_node_list_path)[0m
[1;32m    31[0m    [38;5;28;01mraise[39;00m [38;5;167;01mValueError[39;00m([38;5;124m"[39m[38;5;124m第一条 copolymer_name 为空或无效。[39m[38;5;124m"[39m)
[1;32m    33[0m [38;5;66;03m# ========================= 1) 读取 atom_list =========================[39;00m
[0;32m---> 34[0m atom_list [38;5;241m=[39m [43mload_polymer_atom_list[49m[43m([49m[43mpolymer_node_list_path[49m[43m)[49m  [38;5;66;03m# 中文注释：从 polymer_node_list_path 读取节点列表[39;00m
[1;32m    36[0m [38;5;66;03m# 将形如“{name}_{i}”的字符串统一裁剪为“{name}”；仅当末尾为“_纯数字”时才去掉[39;00m
[1;32m    37[0m [38;5;250m[39m[38;5;124;03m'''[39;00m
[1;32m    38[0m [38;5;124;03m由于atom_list = load_polymer_atom_list(polymer_node_list_path)的atom_list中的元素形如：“C0_test_C_C_20250821_1”，其结构为“{name}_{i}”，即[39;00m
[1;32m    39[0m [38;5;124;03mname为C0_test_C_C_20250821，也有可能是其他任何输入值，而{i}在这里为1，[39;00m
[1;32m    40[0m [38;5;124;03m现在我希望你在原来代码的基础上多补充代码，作用为：[39;00m
[1;32m    41[0m [38;5;124;03m将结构为“{name}_{i}”的元素全部转化为“{name}”，你不需要给出全部代码，只需要告诉我应该在哪里修改以及具体增补代码即可。[39;00m
[1;32m    42[0m [38;5;124;03m'''[39;00m

Cell [0;32mIn[10], line 16[0m, in [0;36mload_polymer_atom_list[0;34m(file_path)[0m
[1;32m    14[0m [38;5;66;03m# 中文注释：基本存在性检查，便于友好报错[39;00m
[1;32m    15[0m [38;5;28;01mif[39;00m [38;5;129;01mnot[39;00m os[38;5;241m.[39mpath[38;5;241m.[39misfile(file_path):
[0;32m---> 16[0m    [38;5;28;01mraise[39;00m [38;5;167;01mFileNotFoundError[39;00m([38;5;124mf[39m[38;5;124m"[39m[38;5;124m未找到文件：[39m[38;5;132;01m{[39;00mfile_path[38;5;132;01m}[39;00m[38;5;124m"[39m)
[1;32m    18[0m [38;5;66;03m# 中文注释：读取JSON并解析为Python对象[39;00m
[1;32m    19[0m [38;5;28;01mwith[39;00m [38;5;28mopen[39m(file_path, [38;5;124m"[39m[38;5;124mr[39m[38;5;124m"[39m, encoding[38;5;241m=[39m[38;5;124m"[39m[38;5;124mutf-8[39m[38;5;124m"[39m) [38;5;28;01mas[39;00m f:

[0;31mFileNotFoundError[0m: 未找到文件：polymer_node_list.json

sarphuart · 发表于 Post on 2025-8-28 12:39:18

请问羧基带电均聚物能生成带整数电荷的拓扑文件吗

王纪峰 · 发表于 Post on 2025-8-29 16:08:56

sarphuart 发表于 2025-8-28 12:39
请问羧基带电均聚物能生成带整数电荷的拓扑文件吗

完全可以的，程序设计之初完全考虑了带电问题，您只需要在chemdraw中绘制带电位点然后转化为PSMILES即可

王纪峰 · 发表于 Post on 2025-8-29 16:09:51

2788155831 发表于 2025-8-28 11:57
大佬,请问这是什么问题呢
SMILES:CC(C(OCCOP(OCC[N+](C)(C)C)([O-])=O)=O)(
)C
,均聚, 聚合度10,名称 ...

麻烦发一下任务ID号哈，需要ID号才能定位有问题的任务

牧生 · 发表于 Post on 2025-8-30 10:53:11

现在返回的所有的分子，都叫做MOL。能不能把每个不同种类的单元，自己去指定一个残基名，比如丙烯酰胺和丙烯酸共聚物，可以让我指定让残基名叫做PAM和PAA，而不是统一都叫做MOL。

王纪峰 · 发表于 Post on 2025-8-30 20:11:56

牧生发表于 2025-8-30 10:53
现在返回的所有的分子，都叫做MOL。能不能把每个不同种类的单元，自己去指定一个残基名，比如丙烯酰胺和丙 ...

可以的，这个从算法上来说不难修改，近期就会修改，上线了通知您一声。

2788155831 · 发表于 Post on 2025-9-1 09:36:50

王纪峰发表于 2025-8-29 16:09
麻烦发一下任务ID号哈，需要ID号才能定位有问题的任务

不好意思哈, 任务ID是gAAAAABor8ESM8Ti9PLbew1bpwBowA71DnsD_h5g6kQiE5SKYUonG9JyAUpAnjGv01_EbcgWT22-1qhLaHAfzoAhYHmkbdP-_rhhCij3ZbBXwd7odrc3yelKnJvA9UrQ9EQiOoE2zhaVHqnzGC7JsiRdZEq7Qm5s9EteUWzEOgJI1MEaE8Ho8BzAEa6GvfqleePIYitv_v1fdL23cIuk7qLSRBV3iLpTZTLTGQ7oobvD7gJJcjSlDGVtZU9iiltdhEOjiK5zdrM7Cm8AtfOCpk6snkJKDrO2P5w7Vk-7m5KpyUG8biPpuDeeVmDXt2U-kObO5akDwnRbFV5CRcoBo7ky7OVVAunaBLOR3I6246xAYya8QQkfY0gnurPH-x3JOU4QYEtGDDe2P3F4RxTBSzCXeijxWrsk3-uL8JK9SXluHuL9CvS7X-c=

ljh123 · 发表于 Post on 2025-9-1 19:43:23

期待适配lammps

牧生 · 发表于 Post on 2025-9-13 14:55:01

本帖最后由牧生于 2025-9-13 14:57 编辑

gAAAAABoxQ1i4DcWFWyuLdqYnqomWRpp7IZxOPFpV5GuM_nL9paGf6Obkp9Tb0BBN8aH_i5XKOQGO_3ZBmhuveV_WuYxnJxM9eCBiDljq-YUhY4R1JE-nRCynyOFzSReb2MbcVDFiygwI82F1_rs4X7PllxgVh7fMvVy0LrSxjmSFdZgTITRr6rMGHBbGEcUUmh4-FT6lsUPmICE0toLBtiUTnaE0ivz4nFbYa2HMg_iCscjxRsfsiwd17fj20355lKC9_HLusSYPr4CwZPkL9hAGje9PAl9s6MGQ28Tyb51bBIYw0wfHOuSJ0bn2qrdzNDxO8OwimMF_Gw09iYyMx4nR59GK87pcqliPpI4KLD1lX80Rai9nlBkDvFrdW4-a5YBiVBZUTCRM4d-GnidalzXPCQjUcyd3w_f1nJFIjX9UB1R1G-zxSh0JWT3aBqhSw3Umxwg7S02

请帮我看一下这个嵌段聚合物，是PEG和甲基丙烯酸二甲胺乙酯的嵌段物，但是最终的总电荷不为0，这是为什么呢

如果重复单元数更多，将导致电荷偏离0更多。

milk_q · 发表于 Post on 2025-9-25 20:56:08

求助一下，我的taskIDgAAAAABoypz9Mwgn8atgRX9YmKL0afOtvxQHWumwamrKuZgsil3hXFZaHCNnAhwGNP9NCULt3vicJV2H4AllWIr5J-ltoX495HuYKKlvSD8abpEgzCk4eRqaANlIuhnh_Cmk-LZ-PAVwNKGN_PJBTqqSmU6PFvo_YJhmYc5bci9FH3hjTkR03xEJ92AnbbFZQe1OnDVJjJm4Ik9C3pDNaqhOV_vgwFwco3ESvyrztrVwxbzwoUD2Kufkz6pO-YMYBRmO2EArrub18uRFSqMXESgATV-XEE811MyXxb8IMIssyKjNBWPEpwoL6QauByn4mdM-JS4k5BkZ7_6Mgbf2HVkwwqvLzgd5GDLqwrxyWDkCyWtb6RyRr3p4UHoSIdKqmMYBukjB5w808M8Qk-PnseJCqy73oxNHBg3C3TgL6p45LJ_syP7c7G_8oX5iOrRx3v25TcRUpZBU，9.17的，还是显示Task is still processing. Please check again later.是怎么回事

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