diff --git a/src/geometry/backbone.py b/src/geometry/backbone.py index 75b08a3..bacfa18 100644 --- a/src/geometry/backbone.py +++ b/src/geometry/backbone.py @@ -11,3 +11,14 @@ GEO = { 'C_N_CA_angle': 122.0, 'C_N_H_angle': 119.0, } + +# First residue backbone hardcoded. From 6G4A MET1 +ORI = { + 'N': [ -17.396, -12.153, -13.987 ], + 'CA': [ -16.295, -12.486, -13.259 ], + 'C': [ -16.534, -10.993, -13.428 ], + 'O': [ -16.891, -10.572, -14.520 ], +} + +if __name__ == "__main__": + print(ORI['C'])