Hi, This is probably a stupid question but how do I tell AutoSol to look for a heavy-atom cluster rather than individual atoms? Or should I just find the cluster as a superatom in CNS and input the refined co-ordinates? Thanks, -- Morten K Grøftehauge PhD student Department of Molecular Biology Gustav Wieds Vej 10 C 8000 Aarhus C - Denmark Phone: +45 89 42 50 10 Fax: +45 86 12 31 78 www.bioxray.dk
The super atom approach seems like the best way forward at this moment in time. No need for CNS, you can do this with hyss as well. You can place those coordinates manually in the Autosol wizard. HTH Peter
This is probably a stupid question but how do I tell AutoSol to look for a heavy-atom cluster rather than individual atoms? Or should I just find the cluster as a superatom in CNS and input the refined co-ordinates?
Thanks, -- Morten K Grøftehauge PhD student Department of Molecular Biology Gustav Wieds Vej 10 C 8000 Aarhus C - Denmark Phone: +45 89 42 50 10 Fax: +45 86 12 31 78 www.bioxray.dk
Hi Peter, Yes, unfortunately no easy way to do clusters in the wizards. Solve can phase with them but that is very laborious too...and not necessarily worth the effort! All the best, TomT ps...try running AutoSol or AutoBuild...I am running xtriage and posting the output on the magnifying glass page!
The super atom approach seems like the best way forward at this moment in time. No need for CNS, you can do this with hyss as well. You can place those coordinates manually in the Autosol wizard.
HTH
Peter
This is probably a stupid question but how do I tell AutoSol to look for a heavy-atom cluster rather than individual atoms? Or should I just find the cluster as a superatom in CNS and input the refined co-ordinates?
Thanks, -- Morten K Grøftehauge PhD student Department of Molecular Biology Gustav Wieds Vej 10 C 8000 Aarhus C - Denmark Phone: +45 89 42 50 10 Fax: +45 86 12 31 78 www.bioxray.dk
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participants (3)
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Morten Grøftehauge
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Petrus H Zwart
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Thomas C. Terwilliger