No description
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| assets | Initial import | |
| src | Rename function back | |
| .gitignore | Initial import | |
| Cargo.lock | Initial import | |
| Cargo.toml | Initial import | |
| LICENSE | Add readme and license | |
| README.md | Rename function back | |
mol_parser
Parses mol2 files
Probably also mol and xyz with minimal changes?
Cargo.toml:
parsemol2 = { git = "https://github.com/ivnsch/mol_parser" }
letfile="assets/benzene.mol2";letmol_res=parse_mol2(&file,1).await;assert!(mol_res.is_ok());letmol=mol_res.unwrap();assert_eq!(12,mol.atoms.len());assert_eq!(12,mol.bonds.len());