Merge pull request #6 from JSLJ23/master

fixed pandas `ChainedAssignmentError` & remove extra whitespaces in README.

README.md

@@ -23,7 +23,7 @@ conda activate pypept
 ```
 The remaining dependencies such as BioPython and Pandas can be installed using the `setup.py` file provided in the code repository, which uses python package managers to easily install the required modules. The script can be called with:
 ```Bash
-   pip install git+https://github.com/Boehringer-Ingelheim/pyPept.git
+pip install git+https://github.com/Boehringer-Ingelheim/pyPept.git
 ```
 
 That's all there is to installation! pyPept can be run using a CLI file provided called `run_pyPept` or by using the modules directly in a python script.

src/pyPept/sequence.py

@@ -533,7 +533,7 @@ def get_monomer_info(path):
             else:
                 updated_change = [None if v == 'None' else int(v) for v in
                                   change]
-            df_group[group][idx] = updated_change
+            df_group.loc[idx, group] = updated_change
     df_group = df_group.set_index('symbol')
     df_group = df_group.rename(columns={"ROMol": "m_romol"})