Hi Wayne,
It seems the fix works and I can calculate the angle for the structure.
However I found that the dihedral angle constraints made by DANGLE are wrong. The residues number are total mess:
2 2 2SerN-2SerCa-2SerC-3SerN 162.004 179.990 130.000 None 0 None None 179.98270 None 1.00000 None 1
3 3 3SerC-4HisN-4HisCa-201PheC -154.533 -40.000 -170.000 None 0 None None -119.28171 None 1.00000 None 1
4 4 4HisN-4HisCa-201PheC-201PheCa 164.784 179.990 110.000 None 0 None None -47.99160 None 1.00000 None 1
5 5 201PheC-201PheCa-5HisCa-202LysCa -87.440 -40.000 -170.000 None 0 None None -2.79701 None 1.00000 None 1
6 6 201PheCa-5HisCa-202LysCa-202LysC 136.140 179.990 90.000 None 0 None None 103.91133 None 1.00000 None 1
7 7 202LysCa-202LysC-6HisCa-6HisC -108.618 -40.000 -180.000 None 0 None None -28.96499 None 1.00000 None 1
Inside DANGLE popup the residue number are correct but after hitting "Commit Restraints" it produces the wrong constraints.
Thank you,
Vitaliy
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