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