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/dports/science/massxpert/massxpert-c229f4a1abde3c20b83a90e50f9c5d79104dfa5f/usermanual/
H A Dpka_ph_pi.xml.tex34 <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 …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/pka/
H A Dapbs-smol-vdw.in75 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 …]
/dports/mail/py-dkimpy/dkimpy-1.0.5/dkim/
H A Dcrypto.py140 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],
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/pka/kinase/target_kpa_model/outputfiles/
H A DMATLAB_screen.io6 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...
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/pdb2pka/
H A Dprepare_pKa_ligand.py164 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 …]
H A DpKaIO_compat.py24 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 …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/pka/kinase/
H A Dpka.inm7 pka-dielx.dx
8 pka-diely.dx
9 pka-dielz.dx
10 pka-kappa.dx
H A Dfocusname.inm7 coarse-pka-dielx.dx
8 coarse-pka-diely.dx
9 coarse-pka-dielz.dx
10 coarse-pka-kappa.dx
/dports/science/massxpert/massxpert-c229f4a1abde3c20b83a90e50f9c5d79104dfa5f/lib/
H A DpkaPhPi.cpp382 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 …]
H A DchemicalGroup.cpp45 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
/dports/net/cjdns/cjdns-cjdns-v21.1/node_build/dependencies/cnacl/crypto_box/
H A Dtry.c18 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 …]
H A Dmeasure.c23 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()
/dports/security/gnupg1/gnupg-1.4.23/util/
H A DMakefile.am26 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@
/dports/security/py-pgpy/PGPy-0.5.3/tests/
H A Dtest_10_exceptions.py76 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…
/dports/mail/py-fuglu/fuglu-0.8.0/src/fuglu/lib/
H A Dpatcheddkimlib.py352 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],
/dports/accessibility/py-speech-dispatcher/speech-dispatcher-0.10.2/locale/sk/
H A Dsymbols.dic99 ⇒ 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
/dports/accessibility/speech-dispatcher/speech-dispatcher-0.10.2/locale/sk/
H A Dsymbols.dic99 ⇒ 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
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/
H A DREADME.md22 | 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 …
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/pka-lig/
H A Dapbs-mol-surf.in60 elec name pka-coarse
81 elec name pka-fine
148 print elecEnergy complex-fine - lig-fine - pka-fine end
H A Dapbs-smol-vdw.in60 elec name pka-coarse
81 elec name pka-fine
147 print elecEnergy complex-fine - lig-fine - pka-fine end
H A Dapbs-mol-vdw.in60 elec name pka-coarse
81 elec name pka-fine
147 print elecEnergy complex-fine - lig-fine - pka-fine end
H A Dapbs-smol-surf.in60 elec name pka-coarse
81 elec name pka-fine
148 print elecEnergy complex-fine - lig-fine - pka-fine end
/dports/www/castor/castor-0.8.16/cargo-crates/security-framework-0.4.4/src/
H A Dkey.rs31 let pka = unsafe { SecKeyCopyAttributes(self.to_void() as _) }; in attributes() localVariable
32 unsafe { CFDictionary::wrap_under_create_rule(pka) } in attributes()
/dports/dns/dog/dog-0.1.0/cargo-crates/security-framework-0.4.4/src/
H A Dkey.rs31 let pka = unsafe { SecKeyCopyAttributes(self.to_void() as _) }; in attributes() localVariable
32 unsafe { CFDictionary::wrap_under_create_rule(pka) } in attributes()
/dports/net-im/fractal/fractal-4.4.0/vendor/security-framework/src/
H A Dkey.rs31 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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