Thanks Charles for the quick response and update. Best, Kumaran
> On Jan 31, 2018, at 2:19 PM, Charles Schwieters <[email protected]> > wrote: > > > Hello Kumaran-- > >> >> I try to run the example scripts from >> https://nmr.cit.nih.gov/xplor-nih/methodsMolBiol/ without any >> modification. I got this error in the first step (fold.py) >> >> >> ===================================== >> >> fold.py(27): protocol.initRandomSeed(3421) # by seed number >> random seed initialized to 3421 >> fold.py(32): protocol.genExtendedStructure() >> %CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%% > > Thank you for pointing this out: the provided PSF file was stale. I > have updated this example by removing the PSF file, and including > instructions for creating it from sequence in the README.txt > file. Please follow the updated instructions. > > best regards-- > Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
