I may be wrong, but can't you just use babel to convert from pdb to cml babel -ipdb file.pdb -ocml file.cml
and then open the cml file in Jmol. The cml file will contain information on bond order. Jay On 10/3/11 9:11 AM, "Angel Herráez" <angel.herr...@uah.es> wrote: >Sara, maybe the best way to force the double bonds is to declare them >using the "connect" command in Jmol script [1]. You can also embed >that command in the pdb file itself [2]. > >1. http://chemapps.stolaf.edu/jmol/docs/#connect > >2. >http://wiki.jmol.org/index.php/File_formats/Scripting#Script_inline_wi >thin_a_molecular_coordinates_file > > >But anyway, the old method of using CONECT records in the pdb file >must work. >Do you have an example file whre CONECT has failed? > > >-------------------------------------------------------------------------- >---- >All the data continuously generated in your IT infrastructure contains a >definitive record of customers, application performance, security >threats, fraudulent activity and more. Splunk takes this data and makes >sense of it. Business sense. IT sense. Common sense. >http://p.sf.net/sfu/splunk-d2dcopy1 >_______________________________________________ >Jmol-users mailing list >Jmol-users@lists.sourceforge.net >https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2dcopy1 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
