molcrafts-molrs 0.7.0

Molecular simulation toolkit: core data structures, IO, trajectory analysis, force fields, SMILES, and 3D conformer generation (feature-gated modules)
Documentation
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//! Single-structure data file formats: PDB, XYZ, GRO, mol2, SDF, CIF,
//! LAMMPS data, and VASP/Gaussian grid formats (CHGCAR, POSCAR, Cube).

pub mod chgcar;
pub mod cif;
pub mod cube;
pub mod gro;
pub mod lammps_data;
pub mod mol2;
pub mod pdb;
pub mod poscar;
pub mod sdf;
pub mod vasp_common;
pub mod xyz;