diff --git a/arbdmodel.py b/arbdmodel.py index a270c5b78a879500c0f7ee06e87ce70802079976..81ce94e61a1c1087f12320d608c1f2bbff4aa540 100644 --- a/arbdmodel.py +++ b/arbdmodel.py @@ -464,7 +464,7 @@ class PdbModel(Transformable, Parent): ## TODOTODO test if np.log10(idx) >= 5: - idx = "******" + idx = " *****" else: idx = "{:>6d}".format(idx) diff --git a/segmentmodel.py b/segmentmodel.py index 3a6a458c8a43da885f6c1a4b17ba64d9bb98fc8e..88f152cc660f1bd95332ed310eacf04d71f2ebb2 100644 --- a/segmentmodel.py +++ b/segmentmodel.py @@ -418,15 +418,15 @@ class Segment(ConnectableElement, Group): axis = axis / np.linalg.norm(axis) rotAxis = np.cross(axis,np.array((0,0,1))) rotAxisL = np.linalg.norm(rotAxis) + zAxis = np.array((0,0,1)) if rotAxisL > 0.001: - theta = np.arcsin(rotAxisL) - orientation0 = rotationAboutAxis( rotAxis/rotAxisL, theta*180/np.pi, normalizeAxis=False ) + theta = np.arcsin(rotAxisL) * 180/np.pi + if axis.dot(zAxis) < 0: theta = 180-theta + orientation0 = rotationAboutAxis( rotAxis/rotAxisL, theta, normalizeAxis=False ).T else: - if axis.dot(np.array((0,0,1))) > 0: - orientation0 = np.eye(3) - else: - orientation0 = rotationAboutAxis( np.array((1,0,0)), 180, normalizeAxis=False ) + orientation0 = np.eye(3) if axis.dot(zAxis) > 0 else \ + rotationAboutAxis( np.array((1,0,0)), 180, normalizeAxis=False ) orientation = rotationAboutAxis( axis, self.twist_per_nt*self.contour_to_nt_pos(s), normalizeAxis=False ) orientation = orientation.dot(orientation0) else: @@ -2318,10 +2318,10 @@ class SegmentModel(ArbdModel): elif dot1 < -0.5 and dot2 < -0.5: ## TODO, reverse ... - print("Warning: {} and {} are on antiparallel helices (not yet implemented)... skipping".format(A,B)) + print("Warning: {} and {} are on antiparallel helices (not yet implemented)... skipping".format(A1,B1)) continue else: - print("Warning: {} and {} are on helices that do not point in similar direction... skipping".format(A,B)) + print("Warning: {} and {} are on helices that do not point in similar direction... skipping".format(A1,B1)) continue ## Go through each nucleotide between the two