/Note: I am the same Brenton that used the [email protected]
email address, FYI/
Hi,
As I have previously said sometimes the structures used by Jmol are
inaccurate due to inaccuracy in online databases that Jmol uses (e.g.,
PubChem; an example of this inaccuracy is the structure of metamizole as
provided by Jmol, as its nitrogen geometry isn't right) and consequently
sometimes, in order to preserve the accuracy of the diagrams one
produces using Jmol, one has to create a PDB file with the correct 3D
coordinates for Jmol to load.
Whenever I load PDB files in Jmol no double bonds are displayed and I'd
like to know how to display them manually. I'd also like to be able to
display double bonds as electron delocalization, along the double bonds.
If you'd like to see, visually, what I mean by displaying double bonds
as electron delocalization look at this diagram on Wikimedia Commons.
[1] <https://commons.wikimedia.org/wiki/File:Sitagliptin_3D.png> I know
it was created using different software (namely Accerlys) but still I'd
like to know if Jmol has something similar to this display of electron
delocalization.
Thanks for your time,
Brenton
------------------------------------------------------------------------------
Meet PCI DSS 3.0 Compliance Requirements with EventLog Analyzer
Achieve PCI DSS 3.0 Compliant Status with Out-of-the-box PCI DSS Reports
Are you Audit-Ready for PCI DSS 3.0 Compliance? Download White paper
Comply to PCI DSS 3.0 Requirement 10 and 11.5 with EventLog Analyzer
http://pubads.g.doubleclick.net/gampad/clk?id=154622311&iu=/4140/ostg.clktrk
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
