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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 [EMAIL PROTECTED] escribió: > > Is there a way to make the two cofactors ignore one another with respect > to VDW? One suggestion I have received is to name each cofactor as "A" and > "B", and give them partial occupancy. > Yes, but this wouldn't reflect the real situation, would it? Actually, nucleotide bases stack in DNA around that distance, and refmac has no big problems with them. How is the density after running refmac? Do you see peaks in the Fo-Fc difference map? I don't recall if you mentioned the resolution of your data, might be high enough for a round of unrestrained refinement? Otherwise, better than turning off the restraints, you might want to use explicit LINK records to set up different ones. But this could be quite complicated, and also you would need a justification for whatever distances you choose. Cheers, Miguel - -- Miguel Ortiz Lombardía Centro de Investigaciones Oncológicas C/ Melchor Fernández Almagro, 3 28029 Madrid, Spain Tel. +34 912 246 900 Fax. +34 912 246 976 email: [EMAIL PROTECTED] www: http://www.ysbl.york.ac.uk/~mol/ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Le travail est ce que l'homme a trouvé de mieux pour ne rien faire de sa vie. (Raoul Vaneigem) -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.2.2 (GNU/Linux) iD8DBQFFZHSuF6oOrDvhbQIRAj8YAJ9iGDs7QkGOlpjWwaWnC1qg1c6q5gCdFFs2 HqTHHd3Un8o26sQUt9hMtxc= =Nd// -----END PGP SIGNATURE-----
