Collections:
"babel ... -o svg -xX" - Hide Implicit H in SVG
How to hide those H symbols (Hydrogen symbols) implicitly added to non-carbon terminal atoms in SVG with the "babel" command?
✍: FYIcenter.com
If you want to hide those Hydrogen symbols implicitly added to non-carbon terminal atoms in SVG format,
you can use the "-o svg -xX" option with the "babel" command.
Here is how the "-xX" option is described in Open Babel help document: "X - All atoms are explicitly declared. Useful if we don't want any extra hydrogens drawn to fill the valence."
For example, the following command generate a SVG picture with no implicit hydrogen symbols for the tyrosine molecule:
fyicenter$ obabel "-:c1cc(ccc1CC(C(=O)O)N)O" -O tyrosine-no-hydrogen.svg -xX 1 molecule converted
As a comparison, running the following command generates a SVG picture with implicit hydrogen symbols of the same molecule:
fyicenter$ obabel "-:c1cc(ccc1CC(C(=O)O)N)O" -O tyrosine.svg 1 molecule converted
Open both output files, tyrosine.svg and tyrosine-no-hydrogen.svg, in a Web browser, you see the differences:
Note that "-xX" option was added in Open Babel 2.4 for SVG format.
⇒ "babel ... -o svg -xC" - Hide Terminal C in SVG
⇐ "babel ... -o svg -xS" - Ball/Stick Depiction in SVG
2020-07-22, 2207🔥, 0💬
Popular Posts:
Molecule Summary: ID: FYI-1002056 Names: LIPITOR; InChIKey: FQCKMBLVYCEXJB-MNSAWQCAS A-LSMILES: CC(C...
Molecule Summary: ID: FYI-1000226 SMILES: CC1=CC(=O)CC2C1(C3CCC4(C (C3CC2)CCC4O)C)CReceived at FYIce...
Molecule Summary: ID: FYI-1004182 Names: InChIKey: PTYVVZZUCFZGES-UHFFFAOYS A-NSMILES: NC(=O)C(CS)NC...
Molecule Summary: ID: FYI-1005852 Names: InChIKey: FUNXTYSYIXPBMM-UHFFFAOYS A-NSMILES: CN4CCCN(C(=O)...
Molecule Summary: ID: FYI-1003539 Names: InChIKey: AEVODBWMGQYTNO-UOXHRDLNS A-NSMILES: C[C@@H]6O[C@@...