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
