Representation of JChem Base Query Functions

    This section describes which of the functions that are used in JChem Base queries are available in Marvin JS. For more information about JChem Base queries, see Query Guide.

    JCB Query Feature Representation in Marvin JS
    Atom list ✔️
    Atom not list ✔️
    Any atom (A) ✔️
    Heteroatom (Q) ✔️
    Heteroatom or hydrogen (QH) ✔️
    Metal (M) ✔️
    Metal or hydrogen (MH) ✔️
    Halogen (X) ✔️
    Halogen or hydrogen (XH) ✔️
    Member of group (Gn)
    Star atom (*) ✔️
    Aromatic (a) ✔️
    Aliphatic (A) ✔️
    D1
    Total hydrogens (H) ✔️
    Implicit hydrogens (h) ✔️
    Rings (R) ✔️
    Smallest ring size (r) ✔️
    Ring membership (R) ✔️
    Valance (v) ✔️
    Connections (X) ✔️
    Substitution count (s) ✔️
    Substitution as drawn (s*) ✔️
    Ring bond count (rb) ✔️
    Ring bond count as drawn (rb*) ✔️
    Unsaturated atom (u) ✔️
    Isotopes ✔️
    Charges ✔️
    Radicals ✔️
    Link nodes (link atoms)2 ✔️
    Repeating units ✔️
    Undefined R-atoms ✔️
    SMARTS atoms ✔️
    Pseudo atoms ✔️
    Homology groups ✔️
    Any bond ✔️
    Single or double ✔️
    Single or aromatic ✔️
    Double or aromatic ✔️
    Ring bond attribute ✔️
    Chain bond attribute ✔️
    SMARTS bonds
    Coordinate bonds ✔️
    Multicenter coordinate bonds ✔️
    Position variation bonds ✔️
    Ordered and unordered mixtures
    Explicit hydrogens ✔️
    Chemical terms
    Attached data ✔️
    Up ✔️
    Down ✔️
    Up or down ✔️
    Cis or trans ✔️
    C/T or unspecified ✔️
    Absolute stereo ✔️
    MDL's Enhanced Stereo Representation ✔️
    R-groups ✔️
    R-group definitions ✔️
    R-logic ✔️
    Atom maps ✔️
    Reacting center on bonds ✔️
    Reacting center stereo query feature
    Monomers
    SRU polymers ✔️
    Co polymers3 ✔️

    1. Equivalent to s. In Marvin JS, only s is supported. 

    2. Flip (f) cannot be represented in JS. 

    3. Only the unspecified (co) subtype is available.