ID;PWXL;N;E
P;PGeneral
P;P0
P;P0.00
P;P#,##0
P;P#,##0.00
P;P#,##0_);;\(#,##0\)
P;P#,##0_);;[Red]\(#,##0\)
P;P#,##0.00_);;\(#,##0.00\)
P;P#,##0.00_);;[Red]\(#,##0.00\)
P;P"$"#,##0_);;\("$"#,##0\)
P;P"$"#,##0_);;[Red]\("$"#,##0\)
P;P"$"#,##0.00_);;\("$"#,##0.00\)
P;P"$"#,##0.00_);;[Red]\("$"#,##0.00\)
P;P0%
P;P0.00%
P;P0.00E+00
P;P##0.0E+0
P;P#\ ?/?
P;P#\ ??/??
P;Pm/d/yy
P;Pd\-mmm\-yy
P;Pd\-mmm
P;Pmmm\-yy
P;Ph:mm\ AM/PM
P;Ph:mm:ss\ AM/PM
P;Ph:mm
P;Ph:mm:ss
P;Pm/d/yy\ h:mm
P;Pmm:ss
P;Pmm:ss.0
P;P@
P;P[h]:mm:ss
P;P_("$"* #,##0_);;_("$"* \(#,##0\);;_("$"* "-"_);;_(@_)
P;P_(* #,##0_);;_(* \(#,##0\);;_(* "-"_);;_(@_)
P;P_("$"* #,##0.00_);;_("$"* \(#,##0.00\);;_("$"* "-"??_);;_(@_)
P;P_(* #,##0.00_);;_(* \(#,##0.00\);;_(* "-"??_);;_(@_)
P;P0.000
P;FGeneva;M200
P;FGeneva;M200;SB
P;FGeneva;M200;SI
P;FGeneva;M200;SBI
P;EArial;M180
P;EArial;M200
P;EGeneva;M200
P;EArial;M200
P;EArial;M180
F;P0;DG0G8;SM9;M228
B;Y67;X6;D0 0 66 5
O;L;D;V4;K47;G100 0.001
F;W2 2 31
F;W3 3 6
F;W4 6 7
F;W7 256 11
C;Y1;X1;K"Determination of a screw axis for describing protein motions"
C;Y2;X2;K"from a rotation matrix and a translation vector"
C;Y3;K"(Mark.Gerstein@yale.edu, May 1997)"
C;Y5;X1;K"From http://bioinfo.mbb.yale.edu/Geometry/screw-axis"
C;Y7;K"Notation derived from appendix to:"
C;Y8;X2;K"M Gerstein, A M Lesk, E N Baker, B Anderson, G Norris & C Chothia (1993). "
C;Y9;K"Domain Closure in Lactoferrin: "
C;Y10;K"Two Hinges produce a See-saw Motion between Alternative Close-Packed Interfaces,"
C;Y11;K"J. Mol. Biol. 234: 357-372. "
C;Y12;K"[Medline UI 94047086]"
C;Y14;X1;K"Fill in 4 variables marked "IN", What comes out is marked "OUT""
C;Y16;K"Variable"
C;X2;K"Description"
C;X3;K"Status"
C;X4;K"Value"
C;Y18;X1;K"k "
C;X2;K" = kappa (rotation angle, in deg then in rad)"
C;X3;K"IN"
C;X4;K-12.2907
F;P36;FF3G;X5
C;K-0.214513182374867;E(RC[-1]/360)*2*PI()
F;P36;FF3G;Y19
C;Y20;X1;K"nhat "
C;X2;K" = unit vector describing rotation-axis "
C;X3;K"IN"
C;X4;K0.8329
C;Y21;X1;K"   "
C;X4;K0.4634
C;Y22;K-0.3025
C;Y24;X1;K"T "
C;X2;K" = Translation-vector (NJA)"
C;X3;K"IN"
C;X4;K6.4744
C;Y25;K-8.3819
C;Y26;K3.0257
C;Y28;X1;K"R "
C;X2;K" = Rotation-mat"
C;X3;K"IN"
C;X4;K0.992981
C;X5;K-0.055548
C;X6;K-0.104421
C;Y29;X4;K0.073241
C;X5;K0.982002
C;X6;K0.174091
C;Y30;X4;K0.092871
C;X5;K-0.180517
C;X6;K0.979178
C;Y32;X1;K"nhat^2"
C;X2;K"(as a check, should be 1)"
C;X3;K"CHECK"
F;P2;FF2G;X4
C;K0.99996822;ER[-12]C*R[-12]C+R[-11]C*R[-11]C+R[-10]C*R[-10]C
F;P2;FF2G;Y33
C;Y34;X1;K"nhat)5T"
C;X3;K"TEMP"
C;X4;K0.59308105;ER[-10]C*R[-14]C+R[-13]C*R[-9]C+R[-12]C*R[-8]C
C;Y36;X1;K"Tpar "
C;X2;K" = nhat(nhat)5T)"
C;X3;K"OUT"
C;X4;K0.493977206545;ER[-2]C*R[-16]C
C;Y37;K0.27483375857;ER[-3]C*R[-16]C
C;Y38;K-0.179407017625;ER[-4]C*R[-16]C
C;Y40;X1;K"Tperp"
C;X2;K" =T-Tpar"
C;X3;K"OUT"
C;X4;K5.980422793455;ER[-16]C-R[-4]C
C;Y41;X2;K"(translation perpendicular to rotation axis)"
C;X4;K-8.65673375857;ER[-16]C-R[-4]C
C;Y42;K3.205107017625;ER[-16]C-R[-4]C
C;Y44;X1;K"cot(k/2)"
C;X3;K"TEMP"
C;X4;K-9.28765669353939;E1/TAN(R[-26]C[+1]/2)
C;Y46;X1;K"C "
C;X2;K" = nhat x Tperp "
C;X3;K"TEMP"
C;Y47;X2;K"(i-component) AyBz - AzBy"
C;X4;K-1.13341537;ER[-26]C*R[-5]C-R[-25]C*R[-6]C
C;X6;K"i x i = j x j = k x k = 0"
C;Y48;X2;K"(j-component) AzBx - AxBz"
C;X4;K-4.47861153;ER[-26]C*R[-8]C-R[-28]C*R[-6]C
C;X6;K"i x j = 1"
C;Y49;X2;K"(k-component) AxBy - AyBx"
C;X4;K-9.98152147;ER[-29]C*R[-8]C-R[-28]C*R[-9]C
C;X6;K"j x i = -1 "
C;Y51;X1;K"C cot (k/2)"
C;X3;K"TEMP"
C;X4;K10.5267728477409;ER[-4]C*R[-7]C
C;Y52;K41.5958063543672;ER[-4]C*R[-8]C
C;Y53;K92.7049446925526;ER[-4]C*R[-9]C
C;Y55;X1;K"x0"
C;X2;K" =(Tperp+C cot(k/2))/2"
C;X3;K"OUT"
C;X4;K8.25359782059796;E(R[-15]C+R[-4]C)/2
C;Y56;X2;K" = location to move origin to so that "
C;X4;K16.4695362978986;E(R[-15]C+R[-4]C)/2
C;Y57;X2;K"      translation is along rotation axis"
C;X4;K47.9550258550888;E(R[-15]C+R[-4]C)/2
C;Y59;X1;K"Rx0"
C;X2;K"(check)"
C;X3;K"TEMP"
C;X4;K2.27330426040529;ER[-31]C*R[-4]C+R[-31]C[+1]*R[-3]C+R[-31]C[+2]*R[-2]C
C;Y60;K25.1261577477257;ER[-31]C*R[-5]C+R[-31]C[+1]*R[-4]C+R[-31]C[+2]*R[-3]C
C;Y61;K44.7499949060431;ER[-31]C*R[-6]C+R[-31]C[+1]*R[-5]C+R[-31]C[+2]*R[-4]C
C;Y63;X1;K"T"
C;X2;K" = Tpar-Rx0+x0"
C;X3;K"TEMP"
C;X4;K6.47427076673768;ER[-27]C-R[-4]C+R[-8]C
C;Y64;X2;K"(check, compare with above)"
C;X4;K-8.3817876912571;ER[-27]C-R[-4]C+R[-8]C
C;Y65;K3.02562393142066;ER[-27]C-R[-4]C+R[-8]C
C;Y67;X1;K"T-T"
C;X2;K"(as a check, should be zero)"
C;X3;K"CHECK"
C;X4;K0.0000929930987614291;E(R[-43]C-R[-4]C)+(R[-42]C-R[-3]C)+(R[-41]C-R[-2]C)
E