rdkit-0.4.12
- rdkit 0.4.12
- Permalink
- Docs.rs crate page
- MIT
- Links
- crates.io
- Source
- Owners
- xrl
- JJ-Pineda
- Dependencies
- bitvec ^1 normal
  
  byteorder ^1.4.3 normal
  
  cxx ^1 normal
  
  flate2 ^1 normal
  
  log ^0.4 normal
  
  rdkit-sys ^0.4.9 normal
  
  thiserror ^1 normal
  
  env_logger ^0.9.0 dev
- Versions
- 0% of the crate is documented
Platform
- x86_64-unknown-linux-gnu
Feature flags

Rust

rdkit0.4.12

All Items

Crate Items

Structs
Enums
Traits
Functions
Type Aliases

Crate rdkit

Structs§

Atom
CleanupParameters
Fingerprint
HybridizationType
MolBlockIter
PeriodicTable
Properties
ROMol
RWMol
RemoveHsParameters
SmilesParserParams
SubstructMatchItem
SubstructMatchParameters
TautomerEnumerator
TautomerEnumeratorResult
Uncharger
VerboseMolBlockIter

Enums§

MolSanitizeException
ROMolError

Traits§

SetPropValue

Functions§

add_hs
clean_up
detect_chemistry_problems
fragment_parent
remove_hs
set_hybridization
substruct_match

Type Aliases§

GzBufReader