User 162d60ff7f
12-04-2013 11:21:43
I wonder if the option below can be used with canonical tautomer option?
Ring-chain tautomerization is allowed: this option can be activated when "All tautomers" function is selected. If it is checked, tautomer generation will take into account the possibility of ring closure
Also, where can I learn more about how ring closure or opeinf algorithm works?
User 162d60ff7f
22-04-2013 21:50:10
anybody can rely on my question?
User 851ac690a0
23-04-2013 09:41:51
Hi,
The ring-chain tautomerization is an ongoing development. It is available in limited form only in case of the all tautomer generation option. Only the 5-6 membered ring-closing tautomerization direction considered in the next cases:
"H Donor atom": R-OH, R-SH, R-NH, R-SeH,R-TeH,R-PH
"Keto Accptor atoms" =Se,=Te, =O, =S.
An example for this input structure "OCCCC=[Te]" given on the attached figure.
It can occures in the GUI that the generated ring-structure is not cleaned. In this case Click on the "Strucutre ==> Clean2D" options on the result table.
Jozsi