Hi List! It is just to inform that the nt_gly.pkl is wrong.
Look the pdb output for the file: ATOM 1 N GLY 22 58.491 32.332 -1.281 1.00 0.00 N ATOM 2 CA GLY 22 59.916 32.449 -1.577 1.00 0.00 C ATOM 3 C GLY 22 60.745 31.741 -0.533 1.00 0.00 C ATOM 4 O GLY 22 60.231 31.156 0.424 1.00 0.00 O ATOM 5 3HA GLY 22 60.168 33.468 -1.589 0.00 0.00 H ATOM 6 HA GLY 22 60.120 31.972 -2.554 1.00 0.00 H ATOM 7 1HT TYR 22 58.066 32.699 -0.358 1.00 0.00 H ATOM 8 2HT TYR 22 58.065 32.977 -1.992 0.00 0.00 H ATOM 9 3HT TYR 22 58.265 31.307 -1.322 0.00 0.00 H END There TYR H in a GLY ;-) Cheers, Alan -- Alan Wilter S. da Silva, D.Sc. - Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK.
