DEFINE_COMPLEX_MOLECULE c_s_0 { NUMBER_OF_SUBUNITS = [ 2, 2, 2, 2 ] SUBUNIT[1:2, 1:2, 1:2, 1:2] = s_g_0 SUBUNIT[ 1, 1, 1, 1:2] = s_g_1 SUBUNIT[ 2, 1, 1:2, 1] = s_g_2 SUBUNIT[ 1, 1:2, 1, 2] = s_g_3 SUBUNIT[1:2, 2, 1, 1] = s_g_4 SUBUNIT[ 2, 2, 2, 2] = s_g_5 SHAPE { SUBUNIT[1, 1, 1, 1] = [ -0.002, -0.002, 0] SUBUNIT[1, 1, 1, 2] = [ -0.001, -0.002, 0] SUBUNIT[1, 1, 2, 1] = [ 0.000, -0.002, 0] SUBUNIT[1, 1, 2, 2] = [ 0.001, -0.002, 0] SUBUNIT[1, 2, 1, 1] = [ -0.002, -0.001, 0] SUBUNIT[1, 2, 1, 2] = [ -0.001, -0.001, 0] SUBUNIT[1, 2, 2, 1] = [ 0.000, -0.001, 0] SUBUNIT[1, 2, 2, 2] = [ 0.001, -0.001, 0] SUBUNIT[2, 1, 1, 1] = [ -0.002, 0.000, 0] SUBUNIT[2, 1, 1, 2] = [ -0.001, 0.000, 0] SUBUNIT[2, 1, 2, 1] = [ 0.000, 0.000, 0] SUBUNIT[2, 1, 2, 2] = [ 0.001, 0.000, 0] SUBUNIT[2, 2, 1, 1] = [ -0.002, 0.001, 0] SUBUNIT[2, 2, 1, 2] = [ -0.001, 0.001, 0] SUBUNIT[2, 2, 2, 1] = [ 0.000, 0.001, 0] SUBUNIT[2, 2, 2, 2] = [ 0.001, 0.001, 0] } SUBUNIT_RELATIONSHIPS { r0000 = [ 0, 0, 0, 0] r0001 = [ 0, 0, 0, 1] r0010 = [ 0, 0, 1, 0] r0011 = [ 0, 0, -1, -1] r0100 = [ 0, -1, 0, 0] r0101 = [ 0, -1, 0, -1] r0110 = [ 0, 1, 1, 0] r0111 = [ 0, 1, 1, 1] r1000 = [ 1, 0, 0, 0] r1001 = [ -1, 0, 0, -1] r1010 = [ -1, 0, -1, 0] r1011 = [ -1, 0, -1, -1] r1100 = [ 1, 1, 0, 0] r1101 = [ 1, 1, 0, 1] r1110 = [ 1, 1, 1, 0] r1111 = [ -1, 1, -1, 1] } RATE_RULES { rr0 { DEFAULT: 3e2 } rr1 { r0000 != s_g_0: 3e3 DEFAULT: 3e2 } rr2 { r0001 == s_g_0,: 3e3 DEFAULT: 3e2 } rr3 { r0010 != s_g_2; & r0011 == s_g_3: 3e3 DEFAULT: 3e2 } rr4 { r0100 == s_g_4' & r0101 != s_g_4: 3e3 DEFAULT: 3e2 } rr5 { r0110 == s_g_0' & r0111 == s_g_1': 3e3 r1000 == s_g_1' & r1001 != s_g_1': 3e3 DEFAULT: 3e2 } rr6 { r1100 == s_g_0: 3e3 r1101 == s_g_1': 3e3 r1110 == s_g_2;: 3e3 r1111 == s_g_3,: 3e3 DEFAULT: 3e2 } } } DEFINE_COMPLEX_MOLECULE c_v_0 { NUMBER_OF_SUBUNITS = [ 2, 2, 2, 2 ] SUBUNIT[1:2, 1:2, 1:2, 1:2] = s_v_0 SUBUNIT[ 1, 1, 1, 1:2] = s_v_1 SUBUNIT[ 2, 1, 1:2, 1] = s_v_2 SUBUNIT[ 1, 1:2, 1, 2] = s_v_3 SUBUNIT[1:2, 2, 1, 1] = s_v_4 SUBUNIT[ 2, 2, 2, 2] = s_v_5 SHAPE { SUBUNIT[1, 1, 1, 1] = [ -0.002, -0.002, 0] SUBUNIT[1, 1, 1, 2] = [ -0.001, -0.002, 0] SUBUNIT[1, 1, 2, 1] = [ 0.000, -0.002, 0] SUBUNIT[1, 1, 2, 2] = [ 0.001, -0.002, 0] SUBUNIT[1, 2, 1, 1] = [ -0.002, -0.001, 0] SUBUNIT[1, 2, 1, 2] = [ -0.001, -0.001, 0] SUBUNIT[1, 2, 2, 1] = [ 0.000, -0.001, 0] SUBUNIT[1, 2, 2, 2] = [ 0.001, -0.001, 0] SUBUNIT[2, 1, 1, 1] = [ -0.002, 0.000, 0] SUBUNIT[2, 1, 1, 2] = [ -0.001, 0.000, 0] SUBUNIT[2, 1, 2, 1] = [ 0.000, 0.000, 0] SUBUNIT[2, 1, 2, 2] = [ 0.001, 0.000, 0] SUBUNIT[2, 2, 1, 1] = [ -0.002, 0.001, 0] SUBUNIT[2, 2, 1, 2] = [ -0.001, 0.001, 0] SUBUNIT[2, 2, 2, 1] = [ 0.000, 0.001, 0] SUBUNIT[2, 2, 2, 2] = [ 0.001, 0.001, 0] } SUBUNIT_RELATIONSHIPS { r0000 = [ 0, 0, 0, 0] r0001 = [ 0, 0, 0, 1] r0010 = [ 0, 0, 1, 0] r0011 = [ 0, 0, -1, -1] r0100 = [ 0, -1, 0, 0] r0101 = [ 0, -1, 0, -1] r0110 = [ 0, 1, 1, 0] r0111 = [ 0, 1, 1, 1] r1000 = [ 1, 0, 0, 0] r1001 = [ -1, 0, 0, -1] r1010 = [ -1, 0, -1, 0] r1011 = [ -1, 0, -1, -1] r1100 = [ 1, 1, 0, 0] r1101 = [ 1, 1, 0, 1] r1110 = [ 1, 1, 1, 0] r1111 = [ -1, 1, -1, 1] } RATE_RULES { rr0 { DEFAULT: 3e2 } rr1 { r0000 != s_v_0: 3e3 DEFAULT: 3e2 } rr2 { r0001 == s_v_0: 3e3 DEFAULT: 3e2 } rr3 { r0010 != s_v_2 & r0011 == s_v_3: 3e3 DEFAULT: 3e2 } rr4 { r0100 == s_v_4 & r0101 != s_v_4: 3e3 DEFAULT: 3e2 } rr5 { r0110 == s_v_0 & r0111 == s_v_1: 3e3 r1000 == s_v_1 & r1001 != s_v_1: 3e3 DEFAULT: 3e2 } rr6 { r1100 == s_v_0: 3e3 r1101 == s_v_1: 3e3 r1110 == s_v_2: 3e3 r1111 == s_v_3: 3e3 DEFAULT: 3e2 } } } DEFINE_COMPLEX_MOLECULE c_v_1 { NUMBER_OF_SUBUNITS = [1] SUBUNIT[1] = s_v_0 SHAPE { SUBUNIT[1] = [0, 0, 0] } SUBUNIT_RELATIONSHIPS { } RATE_RULES { } }