 |
 |
Hi all, I am trying to model an alternate conformation in my structure, but the alternate conformation is a completely different residue. For example, if two different ligands bound in the same position just at shared occupancies. I saw an old posting about this same issue and they recommended giving different segids to different ligands and omitting their interactions, and referred to this paper: Liu et al, biochemistry 2005, 44(8):2982-92. I did this bu I am unable to get CNS to view them as alternate conformations, and during refinement it views them as steric clashes. My question is how/where/in what file do you omit the interactions? Do you modify the .mtf file or some input file? Thanks! Krystle -----------------------------------------------Krystle WilliamsDept. Biochemistry and BiophysicsSchool Of Medicine and DentistryUniversity of Rochester601 Elmwood Ave. Box 712Rochester, NY 14642 Phone:585-276-3681 _________________________________________________________________ Invite your mail contacts to join your friends list with Windows Live Spaces. It's easy! http://spaces.live.com/spacesapi.aspx?wx_action=create&wx_url=/friends.aspx&mkt=en-us