Lines Matching refs:quaternion
303 # TODO: load 1crn.pdb;quaternion;quaternion diff;zap 2.1 -- leaves blank model 2.1 and destroys sta…
320 # new feature: set helixStep 0 -- relates a quaternion to the standard reference frame
340 # new feature: set helixStep 1,2,3,... sets step for quaternion-based analysis of structure -- see…
386 # new feature: draw HELIX AXIS or quaternion HELIX AXIS, also for DNA/RNA
403 # bug fix: quaternion difference off by one group
418 # bug fix: quaternion difference draw not quite correct on axis position
437 # "axis" -- quaternion derivative vector normal indicating local helix axis
638 # string, point, axis-angle/plane/quaternion, atom bitset, bond bitset,
880 # yes T yes straightness quaternion-derived straightness (second derivative of the quaternion des…
987 # bug fix: quaternion straightness not following quaternionFrame type (was using testflag3)
988 # bug fix: quaternion straightness not setting end points to Float.NaN
1119 # bug fix: rotate quaternion with NaN values not ignored
1196 # new feature: draw ID xxx FRAME {center} {quaternion}
1197 # draws x,y,z coordinates for the frame defined by the specified quaternion at the specified cente…
1395 # new feature: q = quaternion(matrixColumn1, matrixColumn2)
1396 # quaternion from first two columns of a 3x3 rotation matrix
1398 # q = quaternion({1 2 -2}, {2 1 2}) = {0.57735026 0.57735026 0.0 0.57735026} (xyzw format)
1487 # bug fix: quaternion straightness update
1706 # new feature: x = quaternion({center_or_point}, {atomX_or_point}, {atomXY_or_point})
1708 # -- quaternion is created based on three atoms or coordinates
1711 # new feature: x = quaternion(q, "id", {center})
1713 # -- creates DRAW sequence to draw quaternion q as three arrows red(x), green(y), blue(z)
1791 # bug fix: ramachandran and quaternion derivative not indicating structure due to dropping last atom
1835 # new feature: moveto quaternion {resno=3} {3.ca}
2021 # bug fix: ramachandran/quaternion "reset" not decoupled from model decouple
2039 # code: way cleaner quaternion derivative calculation code
2069 # bug fix: quaternion derivative DRAW arrows placed on residue i+1 instead of residue i
2074 # code: simpler matrix-->quaternion code
2076 # bug fix: quaternion frame "n" after rotationSelected does not reset NH hydrogen positions
2123 # new feature: quaternion({atom expression}) -- returns calculated
2132 # bug fix: zap 2.1 for quaternion frame causes exception
2133 # bug fix: quaternion r derivative2 nonfunctional in 11.5.45
2151 # axisAngle() and quaternion() are both processed to quaternion format
2157 # axis to dot with the quaternion normal in order to switch the
2169 # new feature: q = quaternion("{x y z w}")
2170 # new feature: rotate @{quaternion(....)}
2172 # new feature: rotate quaternion {x y z w}
2176 # new feature: {quaternion} == {quaternion2} if distance < 0.000001
2186 # bug fix: quaternion frame "n" recognizes file-based H atoms on N for frame definition
2192 # bug fix: Java exception with write(quaternion) instead of write("quaternion")
2220 # Returns a point4f angle-Axis equivalent with x, y, z the normal for the quaternion
2227 # print quaternion({1 0 0}, -20) % 1 ==> {-1 0 0}; %1 ==> 20
2231 # print quaternion({1 0 0}, -20) % {1 0 0 0} ==> {1 0 0 20}
2235 # new feature: Ramachandran "r" --- includes third (Z) axis quaternion r difference2 X component eq…
2237 # bug fix: quaternion definition with dot-product check not effective -- removed
2238 # bug fix: quaternion construction from matrix error
2242 # new feature: extended quaternion math
2244 # q = quaternion({x y z}, angleDegrees)
2245 # q = quaternion(q0, q1, q2,q3)
2267 # (q%{x y z}) -- rotational transform of a point or vector based on a quaternion
2271 # (!q) -- quaternion inverse
2284 # q = quaternion({1 1 1},120)
2314 # bug fix: state script fails to save data for atoms created using the quaternion command
2317 # bug fix: quaternion derivative for i/i+1 assigned to i+1 instead of i; now assigned to i
2318 # bug fix: quaternion calculation using published algorithms was giving inverted quaternions
2324 # new feature: "quaternion derivative" --> "quaternion difference", which is more
2327 # quaternion absolute difference # in the molecular frame
2328 # quaternion relative difference # in the (local) frame of first quaternion:
2336 # new feature: quaternion [w|x|y|z|a|r] [difference][2] [draw]
2337 # new feature: draw quaternion [w|x|y|z|a|r] [difference][2]
2338 # new feature: write quaternion [w|x|y|z|a|r] [difference][2] [draw]
2339 # and with that: write("quaternion" [,"w"|"x"|"y"|"z"|"a"|"r"][,"difference"|"difference2"][,"dra…
2344 # new feature: select whatever; quaternion draw
2345 # draws x,y,z and n vectors for a quaternion center
2372 # Differences dq1 and dq2 are absolute quaternion differences
2378 # and n(dq) = the normal vector associated with this quaternion.
2424 # new feature: quaternion derivative2 (2nd derivative) and quaternion e derivative [experimental]
2484 # bug fix: quaternion derivative multiplication order
2521 # bug fix: zap of quaternion also zaps model inappropriately
3206 # bug fix: quaternion for nucleic acids
3273 # bug fix: quaternion/ramachandran/model can show up together if user issues FRAME ALL
3275 # bug fix: quaternion x reports wrong frame number
3284 # bug fix: quaternion command by itself not switching to most recent quaternion
3454 # bug fix: quaternion not including chain designation
3785 # bug fix: ramachandran/quaternion fix for assignment of structure
3794 # bug fix: quaternion
4774 # new command: quaternion [w x y z] [derivative]