10 Mar
2009
10 Mar
'09
1:25 a.m.
Hi All, I seem to have trouble with the dock prep procedure for molecules with cofactors, specifically NADP+. I cannot figure out how to write out the surface of both the protein and cofactor together. I can do this with the standalone DMS program using the "-a" flag. Am I missing something? I am using pdb 1el3 as a test and trying to redock the inhibitor I84 back into the complex. I completed the tutorial using 1abe and this was very valuable in learning how to prep molecules with DOCK. Thanks, Wally Walter R.P. Novak, Ph.D. Postdoctoral Fellow Rosenstiel Basic Medical Research Center Brandeis University 415 South St. MS 029 Waltham, MA 02454-9110 Phone: (781) 736-4944 Fax: (781) 736-2405