Pacote: apbs (3.4.1-6 e outros)
Links para apbs
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Baixe o pacote-fonte apbs:
Mantenedores(as):
Fontes externas:
- Pagina principal [www.poissonboltzmann.org]
Pacotes similares:
Adaptive Poisson Boltzmann Solver
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including:
* simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics, * implicit solvent molecular dynamics of biomolecules , * solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design, * and biomolecular titration studies.
APBS was designed to efficiently evaluate electrostatic properties for such simulations for a wide range of length scales to enable the investigation of molecules with tens to millions of atoms.
This package contains the apbs program and utilities.
Outros pacotes relacionados a apbs
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- dep: apbs-data (= 3.4.1-6)
- data files for APBS (Adaptive Poisson Boltzmann Solver)
-
- dep: libamd3 (>= 1:7.0.1)
- approximate minimum degree ordering library for sparse matrices
-
- dep: libapbs3t64 (= 3.4.1-6+b3)
- Adaptive Poisson Boltzmann Solver
-
- dep: libarpack2t64 (>= 2.1)
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- dep: libblas3
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- ou libblas.so.3
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-
- dep: libc6 (>= 2.34)
- GNU Biblioteca C: Bibliotecas compartilhadas
também um pacote virtual fornecido por libc6-udeb
-
- dep: libcamd3 (>= 1:7.0.1)
- symmetric approximate minimum degree library for sparse matrices
-
- dep: libccolamd3 (>= 1:7.0.1)
- constrained column approximate library for sparse matrices
-
- dep: libcholmod5 (>= 1:7.3.1)
- sparse Cholesky factorization library for sparse matrices
-
- dep: libcolamd3 (>= 1:7.0.1)
- column approximate minimum degree ordering library for sparse matrices
-
- dep: libfetk1.9t64 (>= 3.4.1)
- FETK libraries for APBS (shared libraries)
-
- dep: libgomp1 (>= 4.2.1)
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-
- dep: libjs-mathjax
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- dep: libmaloc1 (>= 0.2-1)
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- dep: libmpich12
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-
- dep: libspqr4 (>= 1:7.8.3+dfsg)
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-
- dep: libstdc++6 (>= 4.1.1)
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- dep: libsuitesparseconfig7 (>= 1:7.0.1)
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- dep: libsuperlu7 (>= 7.0.0+dfsg1)
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- dep: libumfpack6 (>= 1:7.0.1)
- sparse LU factorization library
Download de apbs
Arquitetura | Versão | Tamanho do pacote | Tamanho instalado | Arquivos |
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armhf | 3.4.1-6+b3 | 74.8 kB | 1,235.0 kB | [lista de arquivos] |