Hello Keith-- > > I’d like to run PASD on data from a sample that has two distinct > conformations in > slow exchange. I’m hoping that an ensemble of states will aid the program in > assigning the nOes. My problem is that the manuals show how to initialize an > ensemble from within a Python program, but the PASD scripts are in Tcl. Can I > use > the Tcl ‘exec’ command to run xplor Python process? If not, what is the > recommended approach? >
I suggest to first run PASD using the non-ensemble (TCL) setup. Have you done this? It should be possible to extract some assignments using this approach. I am curious how this works for you, and would be happy to help interpret the results. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
