/dports/science/massxpert/massxpert-c229f4a1abde3c20b83a90e50f9c5d79104dfa5f/usermanual/ |
H A D | pka_ph_pi.xml.tex | 34 <pka>9.6</pka> 45 <pka>2.35</pka> 54 <pka>9.6</pka> 65 <pka>2.35</pka> 71 <pka>8.3</pka> 80 <pka>9.6</pka> 91 <pka>2.36</pka> 97 <pka>3.65</pka> 111 <pka>9.6</pka> 142 <pka>9.6</pka> [all …]
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/pka/ |
H A D | apbs-smol-vdw.in | 75 elec name pka-coarse 96 write pot dx coarse-pka-pot 98 write dielx dx coarse-pka-dielx 99 write diely dx coarse-pka-diely 103 elec name pka-fine 124 write pot dx pka-pot 125 write charge dx pka-charge 126 write dielx dx pka-dielx 127 write diely dx pka-diely 128 write dielz dx pka-dielz [all …]
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/dports/mail/py-dkimpy/dkimpy-1.0.5/dkim/ |
H A D | crypto.py | 140 pka = asn1_parse(ASN1_RSAPrivateKey, data) 144 'version': pka[0][0], 145 'modulus': pka[0][1], 146 'publicExponent': pka[0][2], 147 'privateExponent': pka[0][3], 148 'prime1': pka[0][4], 149 'prime2': pka[0][5], 150 'exponent1': pka[0][6], 151 'exponent2': pka[0][7], 152 'coefficient': pka[0][8],
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/pka/kinase/target_kpa_model/outputfiles/ |
H A D | MATLAB_screen.io | 6 C:\Users\Marce\Documents\temp\MATLAB_PB_SOLVER_4\Input_Files\pka.inm 11 coarse-pka-dielx.dx... 12 coarse-pka-diely.dx... 13 coarse-pka-dielz.dx... 14 coarse-pka-kappa.dx... 76 pka-dielx.dx... 77 pka-diely.dx... 78 pka-dielz.dx... 79 pka-kappa.dx...
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/pdb2pka/ |
H A D | prepare_pKa_ligand.py | 164 for pka in pkas.childNodes: 165 print ' Value: ',pka.attributes['Value'].value 166 print ' Temperature: ',pka.attributes['Temperature'].value 167 print ' pH: ',pka.attributes['pH'].value 168 print ' Solvent: ',pka.attributes['Solvent'].value 169 print ' Salt type: ',pka.attributes['Salt_type'].value 170 print ' Salt conc.: ',pka.attributes['Salt_conc.'].value 171 … print ' Titratable group: ',pka.attributes['Titratable_group'].value 172 … print ' Most bio. rel.: ',pka.attributes['Most_bio._relavent'].value 173 print ' Reference: ',pka.attributes['Reference'].value [all …]
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H A D | pKaIO_compat.py | 24 self.pka={} 144 pka=string.atof(residue[6]) 146 pka=string.atof(residue[5]) 174 pka=string.atof(residue[6]) 176 pka=string.atof(residue[5]) 203 pka=string.atof(residue[1]) 219 if pka==0.0: 220 pka=None 228 self.pka=pKa 229 return self.pka [all …]
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/pka/kinase/ |
H A D | pka.inm | 7 pka-dielx.dx 8 pka-diely.dx 9 pka-dielz.dx 10 pka-kappa.dx
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H A D | focusname.inm | 7 coarse-pka-dielx.dx 8 coarse-pka-diely.dx 9 coarse-pka-dielz.dx 10 coarse-pka-kappa.dx
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/dports/science/massxpert/massxpert-c229f4a1abde3c20b83a90e50f9c5d79104dfa5f/lib/ |
H A D | pkaPhPi.cpp | 382 calculateChargeRatio(chemicalGroup->pka(), in calculateCharges() 533 PkaPhPi::calculateChargeRatio(double pka, bool acidCharged) in calculateChargeRatio() argument 537 if (pka < 0) in calculateChargeRatio() 539 if (pka > 14) in calculateChargeRatio() 552 aOverAh =(double) pow(10,(m_ph - pka)); in calculateChargeRatio() 659 double charge = calculateChargeRatio(group.pka(), in accountPolymerEndModif() 710 double charge = calculateChargeRatio(group.pka(), in accountPolymerEndModif() 759 calculateChargeRatio(chemicalGroup->pka(), in accountPolymerEndModif() 809 double charge = calculateChargeRatio(group.pka(), in accountMonomerModif() 858 double charge = calculateChargeRatio(group.pka(), in accountMonomerModif() [all …]
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H A D | chemicalGroup.cpp | 45 ChemicalGroup::ChemicalGroup(QString name, float pka, in ChemicalGroup() argument 47 : m_name(name), m_pka(pka), in ChemicalGroup() 82 ChemicalGroup::setPka(float pka) in setPka() argument 84 Q_ASSERT(pka > 0 && pka < 14); in setPka() 86 m_pka = pka; in setPka() 91 ChemicalGroup::pka() const in pka() function in massXpert::ChemicalGroup
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/dports/net/cjdns/cjdns-cjdns-v21.1/node_build/dependencies/cnacl/crypto_box/ |
H A D | try.c | 18 static unsigned char *pka; variable 48 pka = alignedcalloc(pklen); in allocate() 73 crypto_box(c,m,TUNE_BYTES + crypto_box_ZEROBYTES,n,pka,skb); in doit() 84 if (crypto_box_keypair(pka,ska) != 0) return "crypto_box_keypair returns nonzero"; in checksum_compute() 96 for (j = -16;j < 0;++j) pka[j] = random(); in checksum_compute() 103 for (j = pklen;j < pklen + 16;++j) pka[j] = random(); in checksum_compute() 110 for (j = -16;j < pklen + 16;++j) pka2[j] = pka[j]; in checksum_compute() 127 for (j = -16;j < pklen + 16;++j) if (pka2[j] != pka[j]) return "crypto_box overwrites pka"; in checksum_compute() 135 if (crypto_box_open(t,c,clen,n,pka,skb) != 0) return "crypto_box_open returns nonzero"; in checksum_compute() 153 for (j = -16;j < pklen + 16;++j) if (pka2[j] != pka[j]) return "crypto_box_open overwrites pk"; in checksum_compute() [all …]
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H A D | measure.c | 23 static unsigned char *pka; variable 39 pka = alignedcalloc(crypto_box_PUBLICKEYBYTES); in allocate() 61 crypto_box_keypair(pka,ska); in measure() 82 crypto_box_beforenm(sb,pka,skb); in measure() 94 crypto_box(c,m,mlen + crypto_box_ZEROBYTES,n,pka,skb); in measure()
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/dports/security/gnupg1/gnupg-1.4.23/util/ |
H A D | Makefile.am | 26 dotlock.c http.c pka.c membuf.c cert.c convert.c \ 76 pka-test: pka.c 78 -DTEST -o pka-test pka.c libutil.a @LIBINTL@ @DNSLIBS@ @CAPLIBS@
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/dports/security/py-pgpy/PGPy-0.5.3/tests/ |
H A D | test_10_exceptions.py | 76 key_algs = [ pka for pka in PubKeyAlgorithm if pka.can_gen and not pka.deprecated ] 77 key_algs_unim = [ pka for pka in PubKeyAlgorithm if not pka.can_gen and not pka.deprecated ] 78 key_algs_rsa_depr = [ pka for pka in PubKeyAlgorithm if pka.deprecated and pka is not PubKeyAlgorit…
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/dports/mail/py-fuglu/fuglu-0.8.0/src/fuglu/lib/ |
H A D | patcheddkimlib.py | 352 pka = asn1_parse(ASN1_RSAPrivateKey, pkdata) 354 'version': pka[0][0], 355 'modulus': pka[0][1], 356 'publicExponent': pka[0][2], 357 'privateExponent': pka[0][3], 358 'prime1': pka[0][4], 359 'prime2': pka[0][5], 360 'exponent1': pka[0][6], 361 'exponent2': pka[0][7], 362 'coefficient': pka[0][8],
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/dports/accessibility/py-speech-dispatcher/speech-dispatcher-0.10.2/locale/sk/ |
H A D | symbols.dic | 99 ⇒ dvojitá šípka vpravo some 100 ⇨ biela šípka vpravo some 126 ← šípka vľavo some 127 ↑ šípka hore some 128 → šípka vpravo some 129 ↓ šípka dole some 132 šípka vpravo some
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/dports/accessibility/speech-dispatcher/speech-dispatcher-0.10.2/locale/sk/ |
H A D | symbols.dic | 99 ⇒ dvojitá šípka vpravo some 100 ⇨ biela šípka vpravo some 126 ← šípka vľavo some 127 ↑ šípka hore some 128 → šípka vpravo some 129 ↓ šípka dole some 132 šípka vpravo some
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/ |
H A D | README.md | 22 | PKA-balanol binding (pka-lig) | [pka-lig/README.md](pka-lig/README.md) | Chung Wong | Calculate b… 23 | PKA-balanol binding (pka-lig)/UHDB | [pka-lig/UHDB/readme.md](pka-lig/UHDB/readme.md)| Chun Wong …
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/pka-lig/ |
H A D | apbs-mol-surf.in | 60 elec name pka-coarse 81 elec name pka-fine 148 print elecEnergy complex-fine - lig-fine - pka-fine end
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H A D | apbs-smol-vdw.in | 60 elec name pka-coarse 81 elec name pka-fine 147 print elecEnergy complex-fine - lig-fine - pka-fine end
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H A D | apbs-mol-vdw.in | 60 elec name pka-coarse 81 elec name pka-fine 147 print elecEnergy complex-fine - lig-fine - pka-fine end
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H A D | apbs-smol-surf.in | 60 elec name pka-coarse 81 elec name pka-fine 148 print elecEnergy complex-fine - lig-fine - pka-fine end
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/dports/www/castor/castor-0.8.16/cargo-crates/security-framework-0.4.4/src/ |
H A D | key.rs | 31 let pka = unsafe { SecKeyCopyAttributes(self.to_void() as _) }; in attributes() localVariable 32 unsafe { CFDictionary::wrap_under_create_rule(pka) } in attributes()
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/dports/dns/dog/dog-0.1.0/cargo-crates/security-framework-0.4.4/src/ |
H A D | key.rs | 31 let pka = unsafe { SecKeyCopyAttributes(self.to_void() as _) }; in attributes() localVariable 32 unsafe { CFDictionary::wrap_under_create_rule(pka) } in attributes()
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/dports/net-im/fractal/fractal-4.4.0/vendor/security-framework/src/ |
H A D | key.rs | 31 let pka = unsafe { SecKeyCopyAttributes(self.to_void() as _) }; in attributes() localVariable 32 unsafe { CFDictionary::wrap_under_create_rule(pka) } in attributes()
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