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) | |
| Hetero atom (Q) | |
| Hetero atom 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) | |
| D<n>1 | |
| Total hydrogens (H<n>) | |
| Implicit hydrogens (h<n>) | |
| Rings (R<n>) | |
| Smallest ring size (r<n>) | |
| Ring membership (R) | |
| Valance (v<n>) | |
| Connections (X<n>) | |
| Substitution count (s<n>) | |
| *Substitution as drawn (s)** | |
| Ring bond count (rb<n>) | |
| *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<n>. In Marvin JS, only s<n> is supported.
2 Flip (f) cannot be represented in JS.
3 Only the unspecified (co) subtype is available.