Thanks Charles. I tested it and it works fine. If I understood it correctly, those script you mentioned will generate a NEF output file ( for data transfer/ deposition). My question is can I have a script to generate .tbl files from NEF, so that I can plug this script in as a first step in the pipeline then continue with structure calculation and at the end use makeNEF.py to generate a NEF output file. In a simple words does XPLOR support NEF input file?
Best, Kumaran > On Feb 1, 2018, at 11:14 AM, Charles Schwieters <[email protected]> > wrote: > > > Hello Kumaran-- >> >> May I know how far NEF(NMR Exchange >> Format) support has been implemented in Xplor? Is it possible to >> specify one NEF file containing different types restraints(NOE, angle, >> hbond) instead of different .tbl files as an input ? >> > > There are examples of reading NEF files in the egininput/nef directory > and in the eginput/gb1_rdc/testNEF.py in the Xplor-NIH > distribution. Feedback is welcome! > > thanks-- > Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
