[phenixbb] Update: Check for radiation-induced reduction of a disulfide bond
back_noguera at yahoo.com.ar
Sun Feb 14 13:24:40 PST 2016
Sorry, my previous email was incomplete. My structure has negative density in the center of some disulfides (the magnitude of this effect vary between different monomers in the ASU). I'd like to refine the structure in an "artificial reduced form", where cysteines involved in disulfides are treated in reduced form, but repulsions originating from neighboring sulfur atoms are turned-off, to monitor distances (I expect that SG atoms remain close to 2 A), guided only by data. Thank you,
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