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Properties of proteins: Difference between revisions
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→Distinguishing ions from waters
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that are close to each other should not have an occupancy sum greater | that are close to each other should not have an occupancy sum greater | ||
than unity. | than unity. | ||
Further possibilities: | |||
* From the Phenix package, try: mmtbx.water_screen model.pdb data.mtz elements=NA,K | |||
* WASP analyse water molecules in high-resolution protein structure to check if some of those could be metal ions. WASP could be run as a part of STAN server. STAN - the STructure ANalysis server from USF (http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl ) | |||
== Melting point == | == Melting point == | ||