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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) |
---|---|
Repository | github.com/Electrostatics/apbs-pdb2pqr |
Written in | Python, C++, C |
Operating system | Linux |
Type | Molecular electrostatics |
License | MIT License |
Website | www.poissonboltzmann.org |
- Biomolecular electrostatics software. Dear APBS users -We are pleased to announce the release of APBS 1.4.1. This was primarily a bug fix release, however, we have added a.
- The information provided in the APC Software / Firmware Download is provided for general informational purposes only. It is subject to change without notice and is provided “as is” without warranty of any kind, express or implied.
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.
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. Download Latest Version APBS-3.0.0Windows.zip (6.4 MB) Get Updates. Start Free Trial. Recommended Projects. PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations, providing a platform-independent utility for converting protein files in PDB.
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.
Apbs Software Mac Free Download 2016
External links[edit]
Retrieved from 'https://en.wikipedia.org/w/index.php?title=APBS_(software)&oldid=909490059'
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