Can't read smiles inline (marvinsketch)

User 9b0b2c1b48

04-03-2013 18:53:21

Why doesn't this work.  It works with mview just not msketch.  I need to load a molecule into applet and i don't want to use javascript import since it tends to be unreliable with different browsers.  Is there a bug or something?  Documentation says this is possible.


 


msketch_name = "MSketch";
msketch_begin("marvin", 520, 460);
msketch_param('mol', 'CC');
msketch_param("background", "#ffffff");
msketch_param("molbg", "#ffffff");
msketch_param("menuconfig", "http://www.easyochem.com/marvin/customization.xml");
msketch_param("lonePairsAutoCalc", "false");
msketch_param("lonePairsVisible", "true");
msketch_param("sketchCarbonVisibility", "off");
msketch_param("implicitH", "heteroterm");
msketch_param("valenceErrorVisible", "false");
msketch_param("abbrevgroupsAllowed", "false");
msketch_param("bondDraggedAlong","false");

User 9b0b2c1b48

04-03-2013 21:57:38

OK got it figured out.  you can't use the msketch parameter abbrevgroupsAllowed while trying to import inline smiles and watch out for + signs in cxsmiles strings.