Home
last modified time | relevance | path

Searched refs:GUA (Results 1 – 25 of 284) sorted by relevance

12345678910>>...12

/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/example/
H A D1ac7.psf201 195 A 7 GUA P 82 1.500000 30.9740 0
202 196 A 7 GUA O1P 74 -0.780000 15.9994 0
203 197 A 7 GUA O2P 74 -0.780000 15.9994 0
204 198 A 7 GUA O5' 73 -0.570000 15.9994 0
205 199 A 7 GUA C5' 38 -0.080000 12.0110 0
206 200 A 7 GUA H5' 12 0.090000 1.0080 0
207 201 A 7 GUA H5'' 12 0.090000 1.0080 0
208 202 A 7 GUA C4' 33 0.160000 12.0110 0
209 203 A 7 GUA H4' 11 0.090000 1.0080 0
210 204 A 7 GUA O4' 78 -0.500000 15.9994 0
[all …]
H A D1ac7.pgn5 pdbalias residue G GUA
9 pdbalias atom GUA O3* O3'
13 pdbalias atom GUA O4* O4'
17 pdbalias atom GUA O5* O5'
21 pdbalias atom GUA C1* C1'
25 pdbalias atom GUA C2* C2'
29 pdbalias atom GUA C3* C3'
33 pdbalias atom GUA C4* C4'
37 pdbalias atom GUA C5* C5'
41 pdbalias atom GUA H1* H1'
[all …]
H A D1ac7_ctrl.psf202 195 A 7 GUA P 82 1.50000000e+00 30.9740 0
203 196 A 7 GUA O1P 74 -7.80000000e-01 15.9994 0
204 197 A 7 GUA O2P 74 -7.80000000e-01 15.9994 0
205 198 A 7 GUA O5' 73 -5.70000000e-01 15.9994 0
206 199 A 7 GUA C5' 38 -8.00000000e-02 12.0110 0
207 200 A 7 GUA H5' 12 9.00000000e-02 1.0080 0
208 201 A 7 GUA H5'' 12 9.00000000e-02 1.0080 0
209 202 A 7 GUA C4' 33 1.60000000e-01 12.0110 0
210 203 A 7 GUA H4' 11 9.00000000e-02 1.0080 0
211 204 A 7 GUA O4' 78 -5.00000000e-01 15.9994 0
[all …]
H A D1ac7_trj.psf202 195 A 7 GUA P 82 1.50000000e+00 30.9740 0
203 196 A 7 GUA O1P 74 -7.80000000e-01 15.9994 0
204 197 A 7 GUA O2P 74 -7.80000000e-01 15.9994 0
205 198 A 7 GUA O5' 73 -5.70000000e-01 15.9994 0
206 199 A 7 GUA C5' 38 -8.00000000e-02 12.0110 0
207 200 A 7 GUA H5' 12 9.00000000e-02 1.0080 0
208 201 A 7 GUA H5'' 12 9.00000000e-02 1.0080 0
209 202 A 7 GUA C4' 33 1.60000000e-01 12.0110 0
210 203 A 7 GUA H4' 11 9.00000000e-02 1.0080 0
211 204 A 7 GUA O4' 78 -5.00000000e-01 15.9994 0
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/actin-dimer/UHBD/
H A Daheall-atom.charmm.dat465 GUA P 1.50 0.000 0.000 2.15
466 GUA O1P -0.80 0.000 0.000 1.70
467 GUA O2P -0.80 0.000 0.000 1.70
468 GUA O5' -0.55 0.000 0.000 1.77
470 GUA H5' 0.09 0.000 0.000 1.32
471 GUA H5'' 0.09 0.000 0.000 1.32
473 GUA H4' 0.09 0.000 0.000 1.32
474 GUA O4' -0.40 0.000 0.000 1.77
476 GUA H1' 0.09 0.000 0.000 1.32
477 GUA N9 -0.14 0.000 0.000 1.85
[all …]
/dports/graphics/raster3d/Raster3D_3.0-7/materials/
H A Ddna.colours1 COLOUR#######C###GUA########## 1.000 0.101 0.101 1.70
2 COLOUR#######N###GUA########## 1.000 0.101 0.101 1.60
3 COLOUR#######O###GUA########## 1.000 0.101 0.101 1.50
4 COLOUR#######S###GUA########## 1.000 0.101 0.101 1.85
5 COLOUR#######H###GUA########## 1.000 0.101 0.101 1.20
6 COLOUR#######P###GUA########## 1.000 0.101 0.101 1.80
7 COLOUR###########GUA########## 1.000 0.101 0.101 2.00
/dports/biology/mrbayes/MrBayes-3.2.7/examples/
H A Dreplicase.nex10 …GUA --- AAU GGC AAG AUG AUU CGU UGG GAA CUA UUU UCG ACG AUG GGU AAU GGG UUC ACC UUU GAA CUA GAG UC…
11 …GAUCGCCUGGUGUGGAGUUUUCUCCCACCUGAGCUAUAUUCAUAUCUCGAUCGUAUCCGCUCACACUACGGA---GUA---GAUGGCGAGACGAUACG…
15 …M11 CCU UUC AAU AAA GCA GUU ACU GUA CCA AAG AAC AGU AAA ACU GAU CGC UGU AUA GCC AUC GAA CCU GG…
16 … AAU AAA GCA GUU ACU GUA CCA AAG AAC AGU AAA ACU GAU CGC UGC AUC GCU AUC GAG CCA GGC UGG AAU AUG U…
17 …QB CCU UUU AAU AAA GCA GUU ACU GUA CCU AAG AAC AGU AAG ACA GAU CGU UGU AUU GCU AUC GAA CCU GG…
18 …AG GCG GUU CGC UUC AUC GCU AUG GAG CCA GAA CUU AAC AUG CUG CUG CAG AAA UCU GUA GGA GAC ACG AUA AGG…
/dports/science/gromacs/gromacs-2021.4/share/top/amber94.ff/
H A Dffbonded.itp6 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
10 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
21 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
22 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
23 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
24 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
25 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
26 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
27 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
29 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/amber96.ff/
H A Dffbonded.itp6 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
10 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
21 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
22 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
23 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
24 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
25 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
26 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
27 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
29 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/amberGS.ff/
H A Dffbonded.itp6 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
10 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
21 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
22 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
23 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
24 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
25 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
26 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
27 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
29 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/py-pymol/pymol-open-source-2.4.0/data/chempy/tinker/
H A Dparm94.dat61 C -CB 447.0 1.419 JCC,7,(1986),230; GUA
65 C -NA 418.0 1.388 JCC,7,(1986),230; GUA.URA
76 CA-N2 481.0 1.340 JCC,7,(1986),230; ARG,CYT,GUA
77 CA-NA 427.0 1.381 JCC,7,(1986),230; GUA
78 CA-NC 483.0 1.339 JCC,7,(1986),230; ADE,CYT,GUA
79 CB-CB 520.0 1.370 JCC,7,(1986),230; ADE,GUA
80 CB-N* 436.0 1.374 JCC,7,(1986),230; ADE,GUA
81 CB-NB 414.0 1.391 JCC,7,(1986),230; ADE,GUA
82 CB-NC 461.0 1.354 JCC,7,(1986),230; ADE,GUA
84 CK-N* 440.0 1.371 JCC,7,(1986),230; ADE,GUA
[all …]
H A Dparm96.dat61 C -CB 447.0 1.419 JCC,7,(1986),230; GUA
65 C -NA 418.0 1.388 JCC,7,(1986),230; GUA.URA
76 CA-N2 481.0 1.340 JCC,7,(1986),230; ARG,CYT,GUA
77 CA-NA 427.0 1.381 JCC,7,(1986),230; GUA
78 CA-NC 483.0 1.339 JCC,7,(1986),230; ADE,CYT,GUA
79 CB-CB 520.0 1.370 JCC,7,(1986),230; ADE,GUA
80 CB-N* 436.0 1.374 JCC,7,(1986),230; ADE,GUA
81 CB-NB 414.0 1.391 JCC,7,(1986),230; ADE,GUA
82 CB-NC 461.0 1.354 JCC,7,(1986),230; ADE,GUA
84 CK-N* 440.0 1.371 JCC,7,(1986),230; ADE,GUA
[all …]
H A Dparm99.dat72 C -CB 447.0 1.419 JCC,7,(1986),230; GUA
77 C -NA 418.0 1.388 JCC,7,(1986),230; GUA.URA
92 CA-N2 481.0 1.340 JCC,7,(1986),230; ARG,CYT,GUA
93 CA-NA 427.0 1.381 JCC,7,(1986),230; GUA
94 CA-NC 483.0 1.339 JCC,7,(1986),230; ADE,CYT,GUA
96 CB-CB 520.0 1.370 JCC,7,(1986),230; ADE,GUA
97 CB-N* 436.0 1.374 JCC,7,(1986),230; ADE,GUA
98 CB-NB 414.0 1.391 JCC,7,(1986),230; ADE,GUA
99 CB-NC 461.0 1.354 JCC,7,(1986),230; ADE,GUA
105 CK-N* 440.0 1.371 JCC,7,(1986),230; ADE,GUA
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/misc/
H A Dparam.dat673 GUA C1' 0.160 2.010 0.000
674 GUA C2 0.750 1.800 0.000
675 GUA C2' 0.140 2.010 0.000
676 GUA C3' 0.010 2.010 0.000
677 GUA C4 0.260 2.275 0.000
679 GUA C5 0.000 2.275 0.000
681 GUA C6 0.540 1.900 0.000
682 GUA C8 0.250 2.275 0.000
683 GUA H1 0.260 1.358 0.000
693 GUA H8 0.160 0.225 0.000
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/amber99.ff/
H A Dffbonded.itp19 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
23 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
34 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
35 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
36 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
37 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
38 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
39 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
40 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
42 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/amber99sb.ff/
H A Dffbonded.itp19 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
23 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
34 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
35 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
36 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
37 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
38 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
39 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
40 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
42 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/amber99sb-ildn.ff/
H A Dffbonded.itp19 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
23 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
34 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
35 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
36 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
37 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
38 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
39 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
40 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
42 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/amber03.ff/
H A Dffbonded.itp20 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
24 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
35 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
36 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
37 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
38 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
39 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
40 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
41 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
43 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/devel/llvm90/llvm-9.0.1.src/tools/clang/unittests/Lex/
H A DDependencyDirectivesSourceMinimizerTest.cpp448 ASSERT_FALSE(minimizeSourceToDependencyDirectives("#define GUA\\\n" in TEST()
453 ASSERT_FALSE(minimizeSourceToDependencyDirectives("#define GUA\\\r" in TEST()
458 ASSERT_FALSE(minimizeSourceToDependencyDirectives("#define GUA\\\n" in TEST()
461 EXPECT_STREQ("#define GUA RD\n", Out.data()); in TEST()
/dports/science/gabedit/GabeditSrc251_300720/utils/MolecularMechanics/
H A Damber.prm86 C -CB 447.0 1.419 JCC,7,(1986),230; GUA
91 C -NA 418.0 1.388 JCC,7,(1986),230; GUA.URA
106 CA-N2 481.0 1.340 JCC,7,(1986),230; ARG,CYT,GUA
107 CA-NA 427.0 1.381 JCC,7,(1986),230; GUA
108 CA-NC 483.0 1.339 JCC,7,(1986),230; ADE,CYT,GUA
110 CB-CB 520.0 1.370 JCC,7,(1986),230; ADE,GUA
111 CB-N* 436.0 1.374 JCC,7,(1986),230; ADE,GUA
112 CB-NB 414.0 1.391 JCC,7,(1986),230; ADE,GUA
113 CB-NC 461.0 1.354 JCC,7,(1986),230; ADE,GUA
119 CK-N* 440.0 1.371 JCC,7,(1986),230; ADE,GUA
[all …]
H A DcreateMMFile.fc94 fprintf(fout,"1 3 447.0 1.4190 JCC,7,(1986),230; GUA\n");
99 fprintf(fout,"1 39 418.0 1.3880 JCC,7,(1986),230; GUA.URA\n");
114 fprintf(fout,"2 42 481.0 1.3400 JCC,7,(1986),230; ARG,CYT,GUA\n");
115 fprintf(fout,"2 39 427.0 1.3810 JCC,7,(1986),230; GUA\n");
116 fprintf(fout,"2 41 483.0 1.3390 JCC,7,(1986),230; ADE,CYT,GUA\n");
118 fprintf(fout,"3 3 520.0 1.3700 JCC,7,(1986),230; ADE,GUA\n");
119 fprintf(fout,"3 45 436.0 1.3740 JCC,7,(1986),230; ADE,GUA\n");
120 fprintf(fout,"3 40 414.0 1.3910 JCC,7,(1986),230; ADE,GUA\n");
121 fprintf(fout,"3 41 461.0 1.3540 JCC,7,(1986),230; ADE,GUA\n");
127 fprintf(fout,"6 45 440.0 1.3710 JCC,7,(1986),230; ADE,GUA\n");
[all …]
/dports/science/plumed/plumed2-2.7.2/regtest/basic/rt-hrex-0/
H A Dprocessed.top128 C CB 1 0.14190 374049.6 ; 7,(1986),230; GUA
132 C NA 1 0.13880 349782.4 ; 7,(1986),230; GUA.URA
143 CA N2 1 0.13400 402500.8 ; 7,(1986),230; ARG,CYT,GUA
144 CA NA 1 0.13810 357313.6 ; 7,(1986),230; GUA
145 CA NC 1 0.13390 404174.4 ; 7,(1986),230; ADE,CYT,GUA
146 CB CB 1 0.13700 435136.0 ; 7,(1986),230; ADE,GUA
147 CB N* 1 0.13740 364844.8 ; 7,(1986),230; ADE,GUA
148 CB NB 1 0.13910 346435.2 ; 7,(1986),230; ADE,GUA
149 CB NC 1 0.13540 385764.8 ; 7,(1986),230; ADE,GUA
151 CK N* 1 0.13710 368192.0 ; 7,(1986),230; ADE,GUA
[all …]
/dports/science/libghemical/libghemical-3.0.0/bin/amber/
H A Dparm99_frcmod_ff99SB.dat73 C -CB 447.0 1.419 JCC,7,(1986),230; GUA
78 C -NA 418.0 1.388 JCC,7,(1986),230; GUA.URA
93 CA-N2 481.0 1.340 JCC,7,(1986),230; ARG,CYT,GUA
94 CA-NA 427.0 1.381 JCC,7,(1986),230; GUA
95 CA-NC 483.0 1.339 JCC,7,(1986),230; ADE,CYT,GUA
97 CB-CB 520.0 1.370 JCC,7,(1986),230; ADE,GUA
98 CB-N* 436.0 1.374 JCC,7,(1986),230; ADE,GUA
99 CB-NB 414.0 1.391 JCC,7,(1986),230; ADE,GUA
100 CB-NC 461.0 1.354 JCC,7,(1986),230; ADE,GUA
106 CK-N* 440.0 1.371 JCC,7,(1986),230; ADE,GUA
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/dat/
H A DCHARMM.DAT591 GUA P 1.50 2.15 P
592 GUA O1P -0.78 1.70 ON3
593 GUA O2P -0.78 1.70 ON3
594 GUA O5' -0.57 1.77 ON2
598 GUA C4' 0.16 2.275 CN7
603 GUA N9 -0.02 1.85 NN2B
604 GUA C4 0.26 1.9000 CN5
605 GUA N2 -0.68 1.85 NN1
608 GUA N3 -0.74 1.85 NN3G
613 GUA O6 -0.51 1.70 ON1
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QMMM/SE/sample_pot/
H A Dtyrosine.pot38 C CB 447.0 1.419 ! JCC,7,(1986),230; GUA
43 C NA 418.0 1.388 ! JCC,7,(1986),230; GUA.URA
58 CA N2 481.0 1.340 ! JCC,7,(1986),230; ARG,CYT,GUA
59 CA NA 427.0 1.381 ! JCC,7,(1986),230; GUA
60 CA NC 483.0 1.339 ! JCC,7,(1986),230; ADE,CYT,GUA
62 CB CB 520.0 1.370 ! JCC,7,(1986),230; ADE,GUA
63 CB NS 436.0 1.374 ! JCC,7,(1986),230; ADE,GUA
64 CB NB 414.0 1.391 ! JCC,7,(1986),230; ADE,GUA
65 CB NC 461.0 1.354 ! JCC,7,(1986),230; ADE,GUA
71 CK NS 440.0 1.371 ! JCC,7,(1986),230; ADE,GUA
[all …]

12345678910>>...12