# Patoz
Protein Data Bank (pdb) file parser

![Build Status](https://github.com/orhanbalci/rust-protein/workflows/CI/badge.svg)
![License](https://img.shields.io/github/license/orhanbalci/rust-protein.svg)

⚠️ WIP This is a work in progress. Expect breaking changes frequently. Right now use at your own risk

# 📦 Cargo.toml
```
patoz = {git = "https//github.com/orhanbalci/patoz"}
```
# 🔧 Examples
```rust

use std::{
    fs::File,
    io::{BufReader, Read},
    path::PathBuf,
};

use patoz::parse;

fn main() {
    let mut current_file_path = PathBuf::from(file!());
    current_file_path.pop();
    current_file_path.pop();
    current_file_path.push("1BYI.pdb");
    let content = read_file(&current_file_path);
    if let Ok((_, mut res)) = parse(&content) {
        println!(
            "Classification : {:?}",
            res.header().header().unwrap().classification
        );
        println!("Id Code : {:?}", res.header().header().unwrap().id_code);
        println!("Keywords : {:?}", res.header().keywds().unwrap().keywords);
    }
}

fn read_file(path: &PathBuf) -> String {
    let file = File::open(path).unwrap();
    let mut buf_reader = BufReader::new(file);
    let mut contents = String::new();
    if let Ok(_read_res) = buf_reader.read_to_string(&mut contents) {
        contents
    } else {
        "".to_owned()
    }
}
```
# 📊  Status
## Record Parser Status
### Title Section
- [x] [Header](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#HEADER)
- [x] [Obslte](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#OBSLTE)
- [x] [Title](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#TITLE)
- [x] [Splt](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#SPLIT)
- [x] [Caveat](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#CAVEAT)
- [x] [Compnd](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#COMPND)
- [x] [Source](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#SOURCE)
- [x] [Keywds](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#KEYWDS)
- [x] [Expdta](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#EXPDTA)
- [x] [Nummdl](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#NUMMDL)
- [x] [Mdltyp](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#MDLTYP)
- [x] [Author](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#AUTHOR)
- [x] [Sprsde](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#SPRSDE)
- [x] [Revdat](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#REVDAT)
- [x] [Jrnl](http://www.wwpdb.org/documentation/file-format-content/format33/sect2.html#JRNL)
    - [x] Auth
    - [x] Titl
    - [x] Edit
    - [x] Ref
    - [x] Publ
    - [x] Refn
    - [x] Pmid
    - [x] Doi
- [ ] [Remarks](http://www.wwpdb.org/documentation/file-format-content/format33/remarks.html)
### Primary Structure Section
- [ ] [Dbref](http://www.wwpdb.org/documentation/file-format-content/format33/sect3.html#DBREF)
- [ ] [Dbref1](http://www.wwpdb.org/documentation/file-format-content/format33/sect3.html#DBREF1)
- [ ] [Seqadv](http://www.wwpdb.org/documentation/file-format-content/format33/sect3.html#SEQADV)
- [x] [Seqres](http://www.wwpdb.org/documentation/file-format-content/format33/sect3.html#SEQRES)
- [ ] [Modres](http://www.wwpdb.org/documentation/file-format-content/format33/sect3.html#MODRES)
### Heterogen Section
- [ ] [Het](http://www.wwpdb.org/documentation/file-format-content/format33/sect4.html#HET)
- [ ] [Formul](http://www.wwpdb.org/documentation/file-format-content/format33/sect4.html#FORMUL)
- [ ] [Hetnam](http://www.wwpdb.org/documentation/file-format-content/format33/sect4.html#HETNAM)
- [ ] [Hetsyn](http://www.wwpdb.org/documentation/file-format-content/format33/sect4.html#HETSYN)
### Secondary Structure Section
- [ ] [Helix](http://www.wwpdb.org/documentation/file-format-content/format33/sect5.html#HELIX)
- [ ] [Sheet](http://www.wwpdb.org/documentation/file-format-content/format33/sect5.html#SHEET)
### Connectivity Annotation Section
- [ ] [Ssbond](http://www.wwpdb.org/documentation/file-format-content/format33/sect6.html#SSBOND)
- [ ] [Link](http://www.wwpdb.org/documentation/file-format-content/format33/sect6.html#LINK)
- [ ] [Cispep](http://www.wwpdb.org/documentation/file-format-content/format33/sect6.html#CISPEP)
### Miscellaneous Features Section
- [ ] [Site](http://www.wwpdb.org/documentation/file-format-content/format33/sect7.html#SITE)
### Crystallographic and Coordinate Transformation Section
- [ ] [Cryst1](http://www.wwpdb.org/documentation/file-format-content/format33/sect8.html#CRYST1)
- [ ] [MtrixN](http://www.wwpdb.org/documentation/file-format-content/format33/sect8.html#MTRIXn)
- [ ] [OrigxN](http://www.wwpdb.org/documentation/file-format-content/format33/sect8.html#ORIGXn)
- [ ] [ScaleN](http://www.wwpdb.org/documentation/file-format-content/format33/sect8.html#SCALEn)
### Coordinate Section
- [ ] [Model](http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#MODEL)
- [ ] [Atom](http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ATOM)
- [ ] [Anisou](http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ANISOU)
- [ ] [Ter](http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#TER)
- [ ] [Hetatm](http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#HETATM)
- [ ] [Endmdl](http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ENDMDL)
### Connectivity Section
- [ ] [Conect](http://www.wwpdb.org/documentation/file-format-content/format33/sect10.html#CONECT)
### Bookkeeping Section
- [ ] [Master](http://www.wwpdb.org/documentation/file-format-content/format33/sect11.html#MASTER)
- [ ] [End](http://www.wwpdb.org/documentation/file-format-content/format33/sect11.html#END)