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- {{Short description|A classical molecular dynamics software}} '''XMD''' is a classical [[molecular dynamics]] software designed to ...749 bytes (94 words) - 13:41, 10 August 2024
- ...pabilities, including [[structural geometry]] optimization and [[molecular dynamics]] simulations within the [[Born–Oppenheimer approximation]].<ref>[http://ww * [[Atompaw]] Software package for electron configuration calculations ...1 KB (139 words) - 08:39, 11 October 2023
- {{Infobox software ...|author=Hinsen K |title=The Molecular Modeling Toolkit: A New Approach to Molecular Simulations |year=2000 |journal=J. Comput. Chem. |volume=21 |issue=2 |pages ...4 KB (418 words) - 21:36, 18 August 2023
- {{about|the software package|the trade association|Xplor International}} '''X-PLOR''' is a computer [[software]] package for computational structural biology originally developed by [[Ax ...2 KB (230 words) - 23:07, 17 July 2023
- ...small and large molecular systems. The model is included in the [[CHARMM]] molecular mechanics code.<ref>{{Cite web |title=scpism (c48b2) {{!}} CHARMM |url=http [[Category:Molecular dynamics]] ...2 KB (235 words) - 21:36, 27 May 2025
- ...s, it is the application of the '''Metropolis Monte Carlo simulation''' to molecular systems. It is therefore also a particular subset of the more a '''move'''. The avoidance of dynamics restricts the method to studies of static quantities only, but the freedom ...4 KB (518 words) - 14:05, 14 January 2024
- {{Infobox software | name = Nanoscale Molecular Dynamics ...4 KB (585 words) - 03:26, 5 October 2024
- {{Infobox software ...chanics|molecular mechanic]] models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code t ...3 KB (395 words) - 08:51, 13 January 2025
- ...ding ARbitrary Couplings - acronym used for the [[SHARC molecular dynamics software]] ...770 bytes (93 words) - 13:59, 20 April 2023
- * [[Desmond (software)]], molecular dynamics simulation software ...1 KB (167 words) - 23:03, 20 December 2024
- {{Infobox software |developer = Software for Chemistry & Materials ...5 KB (625 words) - 11:24, 5 December 2024
- ...rried out using any combination of Cartesian, torsion angle and rigid body dynamics and minimization. Currently Xplor-NIH is the most versatile, comprehensive *[http://nmr.cit.nih.gov/xplor-nih/ The home page for the software package.] ...3 KB (376 words) - 13:07, 1 July 2019
- {{about|a computer program for molecular dynamics||Tinker (disambiguation)}} {{Infobox software ...10 KB (1,252 words) - 15:38, 2 January 2025
- * [[Python Software Foundation]] ===Software and hardware=== ...2 KB (315 words) - 15:42, 20 October 2024
- ...on|Computer program used to create and modify simulated representations of molecular structures}} ...used to build molecular models, usually as part of [[molecular modelling]] software packages. ...8 KB (900 words) - 02:55, 22 February 2025
- {{Short description|Physics software package}} {{Infobox software ...6 KB (824 words) - 03:15, 4 June 2024
- {{Infobox software | genre = [[Molecular modelling]] ...8 KB (988 words) - 22:51, 16 April 2025
- {{Short description|Visualization and modelling software}} {{Infobox software ...13 KB (1,775 words) - 05:40, 27 May 2025
- [[Image:Hardware-accelerated-molecular-modeling.png|thumb|Modeling of ionic liquid]] ...tems. This may include treating atoms as the smallest individual unit (a [[molecular mechanics]] approach), or explicitly modelling protons and neutrons with th ...12 KB (1,558 words) - 16:07, 22 June 2025
- {{Short description|Software in molecular physics}} {{Infobox software ...11 KB (1,593 words) - 09:00, 25 May 2025