chematic-3d 0.4.21

3D coordinate generation, DREIDING force field, velocity Verlet MD, PDB/XYZ I/O, conformer RMSD — pure Rust, WASM-compatible
Documentation
# This file is automatically @generated by Cargo.
# It is not intended for manual editing.
version = 4

[[package]]
name = "chematic-3d"
version = "0.4.21"
dependencies = [
 "chematic-chem",
 "chematic-core",
 "chematic-ff",
 "chematic-fp",
 "chematic-perception",
 "chematic-smarts",
 "chematic-smiles",
]

[[package]]
name = "chematic-chem"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "54b2abc5b23c60335d59dfb76157d3800fc1c12819fc027abe90ab0527d7f2f5"
dependencies = [
 "chematic-core",
 "chematic-fp",
 "chematic-iupac",
 "chematic-perception",
 "chematic-smarts",
 "chematic-smiles",
 "rustc-hash",
]

[[package]]
name = "chematic-core"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "507afcdf98be520979f920c1d9524ecb3048d9a53e07321f0966ed13a9c720d9"

[[package]]
name = "chematic-ff"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "b8eb87bef66d56554d8b43f97fadb2de7374c06b4957e74f73fdff5d7713f4f5"
dependencies = [
 "chematic-core",
 "chematic-perception",
]

[[package]]
name = "chematic-fp"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "1fa02c015b41190b573dfe9fea3b323cd69459aacf44353ff63a8884d3439daa"
dependencies = [
 "chematic-core",
 "chematic-perception",
 "chematic-rxn",
 "chematic-smarts",
 "chematic-smiles",
 "rustc-hash",
 "smallvec",
]

[[package]]
name = "chematic-iupac"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "0a6dd0387339e5d558964b50fd544e359c53be640f5dbdbbba5706ba320bee05"
dependencies = [
 "chematic-core",
 "chematic-perception",
]

[[package]]
name = "chematic-perception"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "6e67869d14f1641266c4acecc8465d29ddb25f7508b7f3708da07d12b7d1f1d5"
dependencies = [
 "chematic-core",
 "rustc-hash",
]

[[package]]
name = "chematic-rxn"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "5472560ee4f1e8176565af1d5666c4a3ff00f242ddb7aad96d0cbaeee299909e"
dependencies = [
 "chematic-core",
 "chematic-smarts",
 "chematic-smiles",
 "rustc-hash",
]

[[package]]
name = "chematic-smarts"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "2383f9304b4b9f6f93ba5e9920ae54f19fd5af2358a0262f2622e6a63cd8dac5"
dependencies = [
 "chematic-core",
 "chematic-perception",
 "rustc-hash",
]

[[package]]
name = "chematic-smiles"
version = "0.4.21"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "527abe670cce8d07753bb6d3f18257db07c708fb2055c28cc7da47fef9db2671"
dependencies = [
 "chematic-core",
]

[[package]]
name = "rustc-hash"
version = "2.1.2"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "94300abf3f1ae2e2b8ffb7b58043de3d399c73fa6f4b73826402a5c457614dbe"

[[package]]
name = "smallvec"
version = "1.15.2"
source = "registry+https://github.com/rust-lang/crates.io-index"
checksum = "8ed6a63f02c8539c91a8685a86f4099661ba3da017932f6ebbea6de3f0fa7c90"