Hi Angel Thanks for the tip; but I have looked up the connect function in the user guide and I don't know how [atom-expression] and [bond-type] is meant to look like for my example. My current example is metamizole and I'd like a double bond to go between C17 and C18, any idea what code I'd have to use?
Thanks for your time, Brenton On 27/09/2014 6:26 PM, Angel Herráez wrote: > Hi Brenton > > 1. If you edit manually the pdb file, you can add CONECT records for the > double bonds. But it is better -and more flexible- to use Jmol scripts (which > may be embedded in the pdb file or applied from within the page) with the > "connect" command. This allows to set partial and aromatic bonds. > > 2. Jmol has "calculate aromatic" and "connect aromatic". You may or not like > how they look, but it is the same idea as in your example. > You could also draw a ring inside the atom ring (cycle) to depict aromaticity; > that is not automatic, but a decoration you might build using the "draw" > command. > > > > > > ------------------------------------------------------------------------------ > 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 > ------------------------------------------------------------------------------ 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
