Double C/T or Unspec bond type in MarvinSketch

User 9ef27c545f

16-01-2012 12:03:24

Hi All,


Is there any documentation available about the "C/T or Unspec" double bond type available in MarvinSketch?


Thanks!


Robert

ChemAxon fc046975bc

18-01-2012 08:19:52

Dear Robert,


unfortunately, we don't have HTML documentation about the "C/T or Unspec" double bond type right now, although we have started to write it. The 2011 UGM guide contains some information about this topic. This file is attached.

User 9ef27c545f

19-01-2012 12:33:19

For some reason I can't see your answer and download your attached file. I attach a screenshot that I see about my topic. Am I doing sg wrong? 


Could you maybe send me the file you attached to your previous message by email? Thanks!


Robert

ChemAxon fc046975bc

19-01-2012 13:44:02

Sorry, we can't see now the reason of this problem. Would you please try to logout/login, or refresh your browser?

User 9ef27c545f

19-01-2012 20:09:17

Thanks Peter! Now I can see all the posts in this topic, so it should be fine now.


Thanks for the document! If I understand correctly, the "C/T?" double bond means cis or unspecified stereo for a given compound drawn in the cis configuration, and it means trans or unspecified for a given compound drawn in the trans configuration. Is this correct?


Can you tell what is the rationale behind this bond type? I couldn't find this bond type in any other sketchers. I expect it was designed to represent some chemical samples where the existing conventions were not sufficient?


Thanks in advance!


Robert

ChemAxon fc046975bc

20-01-2012 08:25:47

Thanks for the document! If I understand
correctly, the "C/T?" double bond means cis or unspecified stereo for a
given compound drawn in the cis configuration, and it means trans or
unspecified for a given compound drawn in the trans configuration. Is
this correct?


Yes, it is correct. This a query feature. It is useful, when one is searching for given types of molecules in a database.