Two questions: 1. Is there a way to have a square-well coordinate restraint? I am refining a structure against a layered CryoEM density, and I would like to have a way to keep one peptide from moving into the next layer. I see the possibility of Harmonic Coordinate Restraints, but do not see a square-well option (and also do not know how to implement the Harmonic Coordinate Restraint in Xplor-NIH).
1. How can I output the Atom Density map that results from the "probDistPot" optimization against the EM density? In the description of "probDistPot," I see listed prStruct - atomDensity<https://nmr.cit.nih.gov/xplor-nih/doc/current/python/ref/atomDensity.html>.AtomDensity object which contains the map computed from atomSel. But I don't know how to output this map. Thanks for your help, ------------------------------------------------ Kent Thurber Laboratory of Chemical Physics Building 5, Room 403 National Institutes of Health Bethesda, MD 20892-0520 [email protected]<mailto:[email protected]> (301) 451-7253 lab (301) 402-4687 ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
