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Download APBS Kostenlos Thank you for using our software portal. Download the required product from the developer's site for free safely and easily using the official link provided by the developer of APBS. APBS, free download. APBS: 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.
Apbs Software Mac free download. software
Original author(s) | Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA (APBS); Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA (PDB2PQR) |
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Repository | github.com/Electrostatics/apbs-pdb2pqr |
Written in | Python, C++, C |
Operating system | Linux |
Type | Molecular electrostatics |
License | MIT License |
Website | www.poissonboltzmann.org |
APBS (previously also Advanced Poisson-Boltzmann Solver) is a free and open-source software for solving the equations of continuum electrostatics intended primarily for the large biomolecular systems.[1][2] It is available under the MIT License.
PDB2PQR prepares the protein structure files from Protein Data Bank for use with APBS. The preparation steps include, but aren't limited to adding missing heavy atoms to the structures and assigning charges from a number of force fields.[3][4] The output file format is PQR[5] and that's where the name of the software comes from.
References[edit]
- ^Jurrus, Elizabeth; Engel, Dave; Star, Keith; Monson, Kyle; Brandi, Juan; Felberg, Lisa E.; Brookes, David H.; Wilson, Leighton; Chen, Jiahui (2017-08-24). 'Improvements to the APBS biomolecular solvation software suite: Improvements to the APBS Software Suite'. Protein Science. 27 (1): 112–128. doi:10.1002/pro.3280. PMC5734301. PMID28836357.
- ^McCammon, J. Andrew; Holst, Michael J.; Joseph, Simpson; Sept, David; Baker, Nathan A. (2001-08-28). 'Electrostatics of nanosystems: Application to microtubules and the ribosome'. Proceedings of the National Academy of Sciences. 98 (18): 10037–10041. Bibcode:2001PNAS...9810037B. doi:10.1073/pnas.181342398. ISSN0027-8424. PMC56910. PMID11517324.
- ^Baker, Nathan A.; McCammon, J. Andrew; Nielsen, Jens E.; Dolinsky, Todd J. (2004-07-01). 'PDB2PQR: an automated pipeline for the setup of Poisson–Boltzmann electrostatics calculations'. Nucleic Acids Research. 32 (suppl_2): W665–W667. doi:10.1093/nar/gkh381. ISSN0305-1048. PMC441519. PMID15215472.
- ^Baker, Nathan A.; Klebe, Gerhard; Jensen, Jan H.; Nielsen, Jens E.; Li, Hui; Czodrowski, Paul; Dolinsky, Todd J. (2007-07-01). 'PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations'. Nucleic Acids Research. 35 (suppl_2): W522–W525. doi:10.1093/nar/gkm276. ISSN0305-1048. PMC1933214. PMID17488841.
- ^'PQR molecular structure format — APBS-PDB2PQR 1.6 documentation'. apbs-pdb2pqr.readthedocs.io. Retrieved 2019-05-23.
External links[edit]
Retrieved from 'https://en.wikipedia.org/w/index.php?title=APBS_(software)&oldid=909490059'
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