Mview 5.3.4 - Il buono, il brutto, il cattivo

User 677b9c22ff

24-06-2010 02:27:45

Hi,


I only show the good and the ugly:


The good
CCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC

The ugly
OCC1OC(OC2C(O)C(O)C%13C(OC3OC(C%12)C(O)C(O)C3O)C2OP(O)(=O)OCC%10C%11)C(O)C(O)C1O.CCCCCCCCCCCCCC(=O)O%10.CCCCCCCCCCCCCC(=O)O%11.CCCCCCCCCCCCCC(=O)O%12.CCCCCCCCCCCCCC(=O)O%13



Beautification FTW (For The Win)!


Cheers Tobias

User 677b9c22ff

24-06-2010 18:46:20

Hi,


its for a good cause, these molecule classes are marker compounds in extremely drug resistant tuberculosis.


http://xdrtb.org/ (Pictures by James Nachtwey)


Sorry for taking you guys hostage :-)


 


Thank you!


Tobias

ChemAxon 25dcd765a3

25-06-2010 08:15:18

Dear Tobias,


Thank you for calling my attention to the cleaning issue and also for xdrtb.


I try to fix the cleaning problem in Marvin 5.4 version.


Moreover, it was very kind from you that you helped a user in depicting SMARTS topic.


All the best


Andras

ChemAxon 25dcd765a3

14-01-2011 20:01:42

Dear Tobias,


The fix will appear at Marvin 5.4.1, coming out soon.


Andras