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Searched refs:HB1 (Results 251 – 275 of 674) sorted by relevance

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/dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-MidasPattern-0.11/t/pats/
H A D02.pat.pat19 Match: ARG40 HB1
43 Match: ARG42 HB1
H A D09.pat.pat19 Match: ARG40 HB1
43 Match: ARG42 HB1
/dports/science/p5-Chemistry-MidasPattern/Chemistry-MidasPattern-0.11/t/pats/
H A D01.pat.pat19 Match: ARG40 HB1
43 Match: ARG42 HB1
H A D09.pat.pat19 Match: ARG40 HB1
43 Match: ARG42 HB1
/dports/lang/bwbasic/bwbasic-3.20/
H A Dbwb_exp.c193 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/example-cmap/
H A Dpar_all36_prot.prm34 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 …]
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D1hb1_ocv.sdf3 Coordinates from PDB:1HB1:A:1332 Model:1 without hydrogens
108 1HB1
/dports/science/lammps/lammps-stable_29Sep2021/tools/msi2lmp/test/
H A Dphen3_cff97-class1.mdf31 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
/dports/science/gromacs/gromacs-2021.4/src/testutils/simulationdatabase/
H A Dalanine_vsite.itp19 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
H A Dala.top37 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
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/protein-rna/
H A Dmodel_outNpep.pqr46 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
/dports/www/firefox-esr/firefox-91.8.0/security/nss/cmd/bltest/tests/ecdsa/
H A Dkey23 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/security/nss/nss-3.76.1/nss/cmd/bltest/tests/ecdsa/
H A Dkey143 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/security/ca_root_nss/nss-3.71/nss/cmd/bltest/tests/ecdsa/
H A Dkey23 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/www/firefox/firefox-99.0/security/nss/cmd/bltest/tests/ecdsa/
H A Dkey143 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/lang/spidermonkey60/firefox-60.9.0/security/nss/cmd/bltest/tests/ecdsa/
H A Dkey23 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/www/firefox-legacy/firefox-52.8.0esr/security/nss/cmd/bltest/tests/ecdsa/
H A Dkey23 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/mail/thunderbird/thunderbird-91.8.0/security/nss/cmd/bltest/tests/ecdsa/
H A Dkey23 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/lang/spidermonkey78/firefox-78.9.0/security/nss/cmd/bltest/tests/ecdsa/
H A Dkey23 nLHBI9MaFF8AHkRQwD3LJLo4eSZHOVkdIvDYLwicdlgr0zD3Nf76/HB1+0DkBGqE
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/test/
H A Dapbs-forces.pqr6 ATOM 12 HB1 ALA 2 5.123 4.521 -2.131 0.0603 1.4870
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/misc/
H A Dparam.dat324 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 …]
/dports/misc/libad9361-iio/libad9361-iio-0.2-8-ge7bb5cd/filterdesigner/
H A Dinternal_design_filter_cg.h37 … double caldiv, double FIR, double HB1, double PLL_mult, double Apass, double
/dports/biology/molden/molden5.8/plush/
H A D5XU10 lab="HB1" NH="0"
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/trieste-3/aladip/
H A Daladip.gro14 2ALA HB1 12 1.910 1.712 1.673 1.3350 0.8388 -3.1751
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/marvel-2/PCA-isocommittor/
H A Dstart.gro14 1ALAD HB1 12 -0.924 0.609 0.658 1.8041 -0.9057 0.5868

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