[phenixbb] cif file for internal bond with one of two alternative conformations

Daqi Tu daqi.tu at gmail.com
Mon Jul 25 18:26:38 PDT 2011


I have a structure of drug bound to a protein. The drug has two 
alternative conformations, in which one of them has an internal bond 
making it a cyclic compound. How do I refine a structure like this? What 
modification should I do to its cif file, which I generated using elbow 
without the internal bond.

Thank you.

Daqi Tu
(sorry if I have double posted.)

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