Nitro groups in marvin

User a8c1df42e2

18-05-2011 12:02:35

Hi,


When trying to write NO2 in marvin sketch the application freezes and I'm unable to do anything, if I write NH2 for exmaple everything seems to work fine.  This appears to be an intermittent problem and not always reproducible.  THe current version we have is 5.4.0.1


Thanks


Laura

ChemAxon 7c2d26e5cf

19-05-2011 09:27:19

Please describes your software environment:


- operating system


- Java version

ChemAxon 990acf0dec

19-05-2011 09:36:47

Please also detail the steps you do, especially what "write" means: are you typing NO2 over an empty space of a canvas when nothing is selected, or when an atom is selected (or more), or over an atom when it is not selected?


Also, I don't know how you can write "NH2". There is no such an abbreviated group in MarvinSketch's default list (only NH2OC), so you might end up with a simple N atom, which of course can be displayed as NH2 it the display of the implicit hydrogens are on.


Best regards,


Akos

User a8c1df42e2

19-05-2011 10:32:49

Hi Akos and Tamas,


The Operating System is MW XP professional Version 2003 pack 2, 64 bit edition and the Java version is 1.6.0_19


I select an atom first then type NO2 in an empty space and click on the atom highlighted, what you said about the NH2 is correct.


Thanks


Laura

ChemAxon 990acf0dec

20-05-2011 16:29:13

Hi Laura,


So if I understand correctly, when you type NO2, then it appears over the mouse pointer and will be sticky (i.e. moves with the pointer) properly, but when you click on the atom, MSketch hangs up? What happens if you do not select the atom, just move the mouse over and type NO2?


Also, could you please send us the exception - if any - thrown in the console/command window? To have the console window open, please browse to the C:\Program Files\ChemAxon\MarvinBeans\bin directory and start msketch.bat.


Thanks,


Akos