chematic-cli 1.0.21

Small command-line interface for common chematic molecule conversions
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77

# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
#
# When uploading crates to the registry Cargo will automatically
# "normalize" Cargo.toml files for maximal compatibility
# with all versions of Cargo and also rewrite `path` dependencies
# to registry (e.g., crates.io) dependencies.
#
# If you are reading this file be aware that the original Cargo.toml
# will likely look very different (and much more reasonable).
# See Cargo.toml.orig for the original contents.

[package]
edition = "2024"
rust-version = "1.88"
name = "chematic-cli"
version = "1.0.21"
authors = ["Kentaro Tanabe (kent-tokyo) <kent-tokyo@users.noreply.github.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Small command-line interface for common chematic molecule conversions"
homepage = "https://kent-tokyo.github.io/chematic/"
readme = false
keywords = [
    "cheminformatics",
    "chemistry",
    "smiles",
    "molecule",
    "cli",
]
categories = [
    "command-line-utilities",
    "science::computational-chemistry::cheminformatics",
]
license = "MIT OR Apache-2.0"
repository = "https://github.com/kent-tokyo/chematic"
resolver = "2"

[[bin]]
name = "chematic"
path = "src/main.rs"

[[example]]
name = "parser_security_case"
path = "examples/parser_security_case.rs"

[dependencies.chematic-chem]
version = "1.0.21"
features = ["serde"]

[dependencies.chematic-core]
version = "1.0.21"

[dependencies.chematic-fp]
version = "1.0.21"

[dependencies.chematic-mol]
version = "1.0.21"

[dependencies.chematic-rxn]
version = "1.0.21"

[dependencies.chematic-smarts]
version = "1.0.21"

[dependencies.chematic-smiles]
version = "1.0.21"

[dependencies.clap]
version = "4.5"
features = ["derive"]

[dependencies.serde_json]
version = "1.0"