Well, I have done a little research and yes, I can confirm Johannes' observation.
Jmol 12.2.2 has also disabled the popup menu "calculate Hbonds" for MOL2 files, but not for PDB files. However, the ability to calculate is there in the script console. These "feature" is by design, since that popup menu subentry is in the source code part of a group being active only on PDB files. I am not sure is this can/should be overruled or what is the sensible solution in coding terms. Other options like "select > protein" etc. shpuld also be disabled, right? That is because formats other than PDB are not prepared to provide the necessary information. Could you get away from mol2 format? Maybe convert to pdb? Another possible way may be to build a custom menu http://wiki.jmol.org/index.php/Custom_Menus where you will add an option linked to the "hbonds calculate" script.
<<winmail.dat>>
------------------------------------------------------------------------------ Try before you buy = See our experts in action! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-dev2
_______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
