On Fri, 13 May 2011, Piotr Wysoczanski wrote:
> Do you know perhaps if it is possible to export structures, peak list
> and assignments to ccpn Analysis from ARIA automatically? That is I am
> setting up a manual run in ARIA 1.3, but want ARIA to do the same what
> it does when set-up completely from within Analysis. I just tried to
> tick yes in "export to analysis" option project xml file and gave ARIA
> the path to my Analysis project file, but it won't export. On the other
> hand manual importing is a bit time consuming.
It does work in ARIA 2.3 with analysis 2.1.5 and you can control what goes
back into the project to some extent. My personal recommendation is to
export restraints and violations from the final iteration, but not peak
lists (can mangle your assignments if you're not careful) or structures
(don't have fine enough control about how many go back and from which
iteration leading to project bloat). The slickest way to get structures in
again is to make the ones you want (lowest energy selection from final
iteration or refinement) into a multimodel pdb file (I find the old aqua
joinpdb file script handy for this) and import through the structures
popup in analysis.
--
Dr. Brian O. Smith ------------------------ Brian Smith at glasgow ac uk
School of Life Sciences, College of Medical, Vetinerary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600
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