chematic-3d 0.1.0

3D coordinate generation and force-field minimization for chematic — pure Rust

Coverage
92.59%
50 out of 54 items documented0 out of 27 items with examples
Size
Source code size: 55.34 kB This is the summed size of all the files inside the crates.io package for this release.
Documentation size: 774.41 kB This is the summed size of all files generated by rustdoc for all configured targets
Ø build duration
this release: 2s Average build duration of successful builds.
all releases: 5s Average build duration of successful builds in releases after 2024-10-23.
Links
kent-tokyo/chematic
14 0 0
crates.io
Dependencies
- chematic-core ^0.1.0 normal
- chematic-perception ^0.1.0 normal
Versions
Owners

chematic-3d — 3D coordinate generation and file formats for chematic.

Provides:

[generate_coords]: rule-based 3D coordinate builder.
[parse_pdb_atoms], [pdb_to_molecule], [write_pdb]: PDB file support.
[parse_xyz], [write_xyz]: XYZ file support.