/dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-MidasPattern-0.11/t/pats/ |
H A D | 02.pat.pat | 19 Match: ARG40 HB1 43 Match: ARG42 HB1
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H A D | 09.pat.pat | 19 Match: ARG40 HB1 43 Match: ARG42 HB1
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/dports/science/p5-Chemistry-MidasPattern/Chemistry-MidasPattern-0.11/t/pats/ |
H A D | 01.pat.pat | 19 Match: ARG40 HB1 43 Match: ARG42 HB1
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H A D | 09.pat.pat | 19 Match: ARG40 HB1 43 Match: ARG42 HB1
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/dports/lang/bwbasic/bwbasic-3.20/ |
H A D | bwb_exp.c | 193 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 199 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 202 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 205 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 213 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 216 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 223 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 227 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 232 B15 | B93 | HB1 | HB2 | D64 | G65 | G67 | G74 | S70 | I70 | I73 | C77 | D71 270 B15 | B93 | HB1 | HB2 | D71 | M80 | R86 | T80 | H14}, [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/example-cmap/ |
H A D | par_all36_prot.prm | 34 MASS 35 HB1 1.00800 ! backbone H 202 HB1 CP1 330.000 1.0800 ! ALLOW PRO 204 HB1 CT1 330.000 1.0800 ! ALLOW PEP 650 HB1 CT1 C 50.000 109.5000 ! ALLOW PEP 759 NH1 CT1 HB1 48.000 108.0000 ! ALLOW PEP 988 HB1 CT1 CT2A 35.000 111.0000 ! from HB1 CT1 CT2 1011 HB1 CT1 CS 35.000 111.0000 ! from HB1 CT1 CT2 , kevo 2118 HB1 CT1 CT2A CC 0.2000 3 0.00 2138 HB1 CT1 CS HA2 0.2000 3 0.00 ! from HB1 CT1 CT2 HA2 or HB1 CT1 CT2A HA2 , kevo 2139 HB1 CT1 CS SS 0.2000 3 0.00 ! from HB1 CT1 CT2 S or HB1 CT1 CT2A S , kevo [all …]
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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 1hb1_ocv.sdf | 3 Coordinates from PDB:1HB1:A:1332 Model:1 without hydrogens 108 1HB1
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/dports/science/lammps/lammps-stable_29Sep2021/tools/msi2lmp/test/ |
H A D | phen3_cff97-class1.mdf | 31 PHEN_1:CB C c meB 0 0 -0.10600 1 0 8 1.0000 0.0000 CA HB1 HB2 CG 32 PHEN_1:HB1 H h meB 0 0 0.05300 0 0 8 1.0000 0.0000 CB
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/dports/science/gromacs/gromacs-2021.4/src/testutils/simulationdatabase/ |
H A D | alanine_vsite.itp | 19 12 HC 16 ALA HB1 8 0.03 0 ; qtot 0.8959 32 24 HC 17 ALA HB1 18 0.0764 0 ; qtot 0.6851
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H A D | ala.top | 37 8 HC 1 ALA HB1 8 0.063056 1.008 ; qtot 0.79 48 18 HC 2 ALA HB1 18 0.069652 1.008 ; qtot 0.6907
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/protein-rna/ |
H A D | model_outNpep.pqr | 46 ATOM 39 HB1 ALA 3 17.399 2.039 1.737 0.0603 1.4870 222 ATOM 215 HB1 ALA 12 19.004 -7.490 14.112 0.0603 1.4870 286 ATOM 279 HB1 ALA 16 19.140 -7.132 19.953 0.0603 1.4870 359 ATOM 352 HB1 ALA 20 18.926 -4.894 26.229 0.0603 1.4870 369 ATOM 362 HB1 ALA 21 16.865 -1.172 30.206 0.0603 1.4870
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/dports/www/firefox-esr/firefox-91.8.0/security/nss/cmd/bltest/tests/ecdsa/ |
H A D | key2 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/security/nss/nss-3.76.1/nss/cmd/bltest/tests/ecdsa/ |
H A D | key14 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/security/ca_root_nss/nss-3.71/nss/cmd/bltest/tests/ecdsa/ |
H A D | key2 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/www/firefox/firefox-99.0/security/nss/cmd/bltest/tests/ecdsa/ |
H A D | key14 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/lang/spidermonkey60/firefox-60.9.0/security/nss/cmd/bltest/tests/ecdsa/ |
H A D | key2 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/www/firefox-legacy/firefox-52.8.0esr/security/nss/cmd/bltest/tests/ecdsa/ |
H A D | key2 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/mail/thunderbird/thunderbird-91.8.0/security/nss/cmd/bltest/tests/ecdsa/ |
H A D | key2 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/lang/spidermonkey78/firefox-78.9.0/security/nss/cmd/bltest/tests/ecdsa/ |
H A D | key2 | 3 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/test/ |
H A D | apbs-forces.pqr | 6 ATOM 12 HB1 ALA 2 5.123 4.521 -2.131 0.0603 1.4870
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/misc/ |
H A D | param.dat | 324 ALA HB1 0.090 1.260 0.000 370 ARG HB1 0.090 1.260 0.000 431 ASN HB1 0.090 1.260 0.000 445 ASP HB1 0.090 1.260 0.000 536 CYS HB1 0.090 1.260 0.000 626 GLN HB1 0.090 1.260 0.000 643 GLU HB1 0.090 1.260 0.000 784 HS2 HB1 0.090 1.260 0.000 798 HSD HB1 0.090 1.260 0.000 815 HSE HB1 0.090 1.260 0.000 [all …]
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/dports/misc/libad9361-iio/libad9361-iio-0.2-8-ge7bb5cd/filterdesigner/ |
H A D | internal_design_filter_cg.h | 37 … double caldiv, double FIR, double HB1, double PLL_mult, double Apass, double
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/dports/biology/molden/molden5.8/plush/ |
H A D | 5XU | 10 lab="HB1" NH="0"
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/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/trieste-3/aladip/ |
H A D | aladip.gro | 14 2ALA HB1 12 1.910 1.712 1.673 1.3350 0.8388 -3.1751
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/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/marvel-2/PCA-isocommittor/ |
H A D | start.gro | 14 1ALAD HB1 12 -0.924 0.609 0.658 1.8041 -0.9057 0.5868
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