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NMRWish Built-In TCL Functions
dynSetChi: Set the protein sidechain angles for selected residues.
Use dynGetChi -verb to list atoms which define the chi angles of each residue type. Angle Defintions: 1. ALA Chi1 N CA CB HB1 2. ARG Chi1 N CA CB CG 3. ARG Chi2 CA CB CG CD 4. ARG Chi3 CB CG CD NE 5. ARG Chi4 CG CD NE CZ 6. ARG Chi5 CD NE CZ NH1 7. ARG Chi6 NE CZ NH1 HH11 8. ARG Chi7 NE CZ NH2 HH21 9. ASN Chi1 N CA CB CG 10. ASN Chi2 CA CB CG OD1 11. ASN Chi3 CB CG ND2 HD21 12. ASP Chi1 N CA CB CG 13. ASP Chi2 CA CB CG OD1 14. CYS Chi1 N CA CB SG 15. CYS Chi2 CA CB SG HG 16. GLN Chi1 N CA CB CG 17. GLN Chi2 CA CB CG CD 18. GLN Chi3 CB CG CD OE1 19. GLN Chi4 CG CD NE2 HE21 20. GLU Chi1 N CA CB CG 21. GLU Chi2 CA CB CG CD 22. GLU Chi3 CB CG CD OE1 23. HIS Chi1 N CA CB CG 24. HIS Chi2 CA CB CG ND1 25. ILE Chi1 N CA CB CG1 26. ILE Chi2 CA CB CG1 CD|CD1 27. ILE Chi3 CB CG1 CD|CD1 HD1|HD11 28. LEU Chi1 N CA CB CG 29. LEU Chi2 CA CB CG CD1 30. LEU Chi3 CB CG CD1 HD11 31. LEU Chi4 CB CG CD2 HD21 32. LYS Chi1 N CA CB CG 33. LYS Chi2 CA CB CG CD 34. LYS Chi3 CB CG CD CE 35. LYS Chi4 CG CD CE NZ 36. LYS Chi5 CD CE NZ HZ1 37. MET Chi1 N CA CB CG 38. MET Chi2 CA CB CG SD 39. MET Chi3 CB CG SD CE 40. MET Chi4 CG SD CE HE1 41. PHE Chi1 N CA CB CG 42. PHE Chi2 CA CB CG CD1 43. PRO Chi1 N CA CB CG 44. PRO Chi2 CA CB CG CD 45. PRO Chi3 CB CG CD N 46. PRO Chi4 CG CD N CA 47. SER Chi1 N CA CB OG 48. SER Chi2 CA CB OG HG 49. THR Chi1 N CA CB OG1 50. THR Chi2 CA CB OG1 HG1 51. THR Chi3 CA CB CG2 HG21 52. TRP Chi1 N CA CB CG 53. TRP Chi2 CA CB CG CD1 54. TYR Chi1 N CA CB CG 55. TYR Chi2 CA CB CG CD1 56. VAL Chi1 N CA CB CG1 57. VAL Chi2 CA CB CG1 HG11 58. VAL Chi3 CA CB CG2 HG21 |