Subject: CCL:Only yellow contour maps in CoMFA

From: "Somsak Tonmunphean" <somsak.t$at$chula.ac.th>
Date: Tue, 16 Sep 2003 10:17:47 +0700

Dear CCL Members,

My M.Sc. student is doing CoMFA studies of antimalarial 1,2,4-trioxane compounds. She has some problems with her models. All the obtained models show steric contour maps with only yellow color, no green color. At the first time we thought she may make a mistake in setting up during the calculations. But when she carefully tried again with all the default settings, we got the same results. Therefore, we could not interpret these results. We do not know whether it can really be happened. If so, what does this mean?

Thank you,
Somsak Tonmunphean, Ph.D.
Department of Chemistry, Faculty of Science,
Chulalongkorn University, Bangkok 10330 Thailand