Dear Randy, Thank you! Is there any way to do it from the command line? Best wishes, Alex On 16 Feb 2012, at 14:26, Randy Read wrote:
Dear Alexander,
Thanks for reporting this. It turns out that the addSOLU_6DIM_ENSE function was updated in Phaser, to add some new arguments necessary to handle translational NCS, without the code in AutoMR being changed at the same time. Either this option to provide a fixed ensemble in AutoMR is used very rarely, or (more worryingly) people who have run into the problem have been silently frustrated, because these changes were introduced some time ago.
We'll sort out the best way to fix this, probably in time for the next nightly build. In the meantime, you should be able to achieve the same goal through the Phaser-MR interface. When you define the ensemble for the fixed partial solution in that interface, just check the box labelled "Ensemble is fixed partial solution". Under the "Search procedure" tab, you don't want to check the ensemble for the fixed partial solution, just the one(s) for anything left to place.
Best wishes,
Randy Read
On 16 Feb 2012, at 11:21, Alexander Batyuk wrote:
Dear all,
I have the following error while trying to put fixed ensemble into AutoMR:
Adding Ensemble c1 as fixed solution with: Euler angles: [359.98, 0.0, 0.0] Coords (orthogonal A): [-1.0, 0.476, -1.001] *************ERROR ENDING *******************
**************************************** AutoMR Input failed Python argument types in SOLU.addSOLU_6DIM_ENSE(InputMR_AUTO, str, list, bool, list, float, bool, bool, bool) did not match C++ signature: addSOLU_6DIM_ENSE(phaser::SOLU {lvalue}, std::string, scitbx::vec3<double>, bool, scitbx::vec3<double>, double, bool, bool, bool, bool, scitbx::vec3<double>, double) **************************************** *************ERROR ENDING *******************
What could be the reason for that? I'm running dev-986 on OS X 10.6.8. Stable 1.7.3 gives the same error.
Best wishes,
Alex
-- Alex Batyuk The Plueckthun Lab www.bioc.uzh.ch/plueckthun
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------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
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-- Alex Batyuk The Plueckthun Lab www.bioc.uzh.ch/plueckthun