Manipulations

This category contains 15 nodes.

IconSpeedy SMILES Clean '.' non-bonds ManipulatorStreamable

Node to clean '.' bonds accepted by some 'relaxed' parsers

IconSpeedy SMILES Clean Bonds ManipulatorStreamable

Node to clean unnecessary bonds.

IconSpeedy SMILES Clean Charges ManipulatorStreamable

Node to clean deprecated '+++' and '---' style charges, and remove '1' from '+1' and '-1' charges.

IconSpeedy SMILES Clean Isotope Labels ManipulatorStreamable

Node to clean redundant leading zeros from isotopic labels

IconSpeedy SMILES Convert D / T Pseudoatoms to Hydrogen Isotopes ManipulatorStreamable

Node to convert the D and T pseudoatoms to 2H and 3H isotopes

IconSpeedy SMILES Convert Hydrogen Isotopes to D / T Pseudoatoms ManipulatorStreamable

Node to convert 2H and 3H isotopes to the D and T pseudoatoms

IconSpeedy SMILES Convert to Scaffold ManipulatorStreamable

Node to convert SMILES strings to a scaffold

IconSpeedy SMILES De-salt ManipulatorStreamable

Node to find largest component of SMILES by Heavy Atom Count

IconSpeedy SMILES Dummy Atom Atom Class to Isotope Label ManipulatorStreamable

Node to move dummy atom atom class labels to isotopes

IconSpeedy SMILES Dummy Atom Isotope to Atom Class Label ManipulatorStreamable

Node to move dummy atom isotopes to atom class labels