On Thu, Mar 22, 2012 at 6:23 AM, Maike Bublitz
1) I have trouble getting a molecular replacement job to run (Phenix Version 1.7.3-928), where I want to keep one ensemble fixed in its known orientation, only looking for a second ensemble. I keep on getting the following error message, both from the GUI and from command line (using a 'mymr.eff' parameter file):
**************************************** 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 *******************
I can't figure out what I'm doing wrong. Any suggestions?
2) Which parameters would I need to specify to let phenix.autobuild build a model for one protein of a 2-component complex from scratch, while keeping the other component unchanged (and using it to calculate the
This is definitely a bug. Two suggestions: a) try the Phaser-MR GUI instead, it may not have this problem, or b) update to the latest nightly build and see if it's fixed there. I will see if we can add a regression test for specifying a fixed ensemble. phases)? Is that possible? I think you need to define the existing component as ligands, as described here: https://www.phenix-online.org/version_docs/dev-1012/autobuild.htm#anch103 I suspect this means that you'll need to supply an initial map for phases, rather than having it calculate them from the "ligands", but I've never actually tried this myself. -Nat