Metadata-Version: 2.1
Name: PeptideConstructor
Version: 0.1.0
Summary: Create (DL-) peptide PDB files with specified secondary structures
Home-page: https://github.com/CharlesHahn/PeptideConstructor
Author: CharlesHahn
Author-email: 
License: UNKNOWN
Download-URL: https://github.com/CharlesHahn/PeptideConstructor/releases
Description: # DL-PeptideBuilder: A simple Python library to generate model (DL-)peptides.
        
        ## Still working on this:
        
        - [x] add D amino acids support
        - [x] add command-line interface support
        - [ ] add support of more amino acids
        - [ ] add support of adding amino acids to existing protein
        - [ ] add energy minimization or conformation optimization support
        - [ ] further more, add DNA/RNA support
        
        ## Installation
        
        You can install PeptideConstructor with pip:
        
        ```
        pip install PeptideConstructor
        ```
        
        PeptideBuilder has two required dependency: 
        - Biopython for PDB IO.
        - Numpy for coordinates calculation.
        
        ## Usage
        
        After installation, `PCcli` command could be called in your terminal. `PCcli` could generage peptide PDB file from sequence in a simple way.
        
        For instance:
        
        ```
        PCcli -s AaDdKSQym -o test.pdb
        ```
        which will generage a test.pdb file in current directory which contains a peptide with sequence of `AaDdKSQym`, in which, uppercase indicates L amino acids and lowercase indicates D amino acids. 
        
        Also, secondary structure and capping of peptide could be applied through `PCcli`.
        
        Sure you could generage peptide in original way by writing codes. see [PeptideBuilder](https://github.com/clauswilke/PeptideBuilder) for more infomation.
        
        
        ## Post-processing Tools Recommandation:
        
        1. add hydrogens : reduce, TINKER
        2. structure optimization: ModRefiner, TINKER/minimize
        
        ## Others
        
        This repo is based on [Lun4m/PeptideBuilder.git](https://github.com/Lun4m/PeptideBuilder) and [clauswilke/PeptideBuilder.git](https://github.com/clauswilke/PeptideBuilder). Cite their original paper.
        
        **Reference:**
        M. Z. Tien, D. K. Sydykova, A. G. Meyer, C. O. Wilke (2013). PeptideBuilder:
        A simple Python library to generate model peptides. PeerJ 1:e80.
        
Platform: Tested on Windows 10 but not fully tested
Classifier: Development Status :: 3 - Alpha
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Description-Content-Type: text/markdown
Provides-Extra: test
