Comparison of force-field implementations: Difference between revisions

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{{short description|None}}

This is a table of computer programs implementing [[molecular mechanics]] [[Force field (chemistry)| force fields]].

This is a table of notable computer programs implementing [[molecular mechanics]] [[Force field (chemistry)| force fields]]. <!-- Only for programs/packages with their own article. Packages without article will be removed. -->

{| class="wikitable"

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! Comments

|-

| [http://www.biomolecular-modeling.com/[Abalone/ (molecular mechanics)|Abalone]]

| {{yes|UA}}

| {{yes|94, 96, 99SB, 03, GS, ii, Automatic FF generator<ref>[http://www.biomolecular-modeling.com/FF/index.html Automatic Force Field generator]</ref>}}

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| {{yes|UFF-[[André Dreiding|Dreiding]]-like field}}

| For [[protein]]s, [[DNA]], ligands

|-

| ACEMD

| {{yes}}

| {{yes}}

| {{yes}}

| {{yes}}

| {{no}}

| {{no}}

| {{no}}

|

|-

| [[AMBER]]

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| {{no}}

|

|-

| [http://www.arguslab.com/ ArgusLab]

| {{no}}

| {{yes}}

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{yes}}

| Addition to [[quantum chemistry]]

|-

| [[Ascalaph Designer]]

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|

|-

| [http://users.abo.fi/mivainio/balloon/ [Balloon]]

| {{no}}

| {{no}}

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| {{no}}

| * in standard distribution

|-

| [https://www.chemdoodle3d.com ChemDoodle 3D]

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{yes|94, 94s}}

| {{no}}

| {{yes}}

|

|-

| [https://web.archive.org/web/20161021185710/http://www.chemkit.org/ chemkit]

| {{yes}}

| {{yes}}

| {{no}}

| {{no}}

| {{yes}}

| {{no}}

| {{yes}}

|

|-

| [[Gabedit]]

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| * in standard distribution since v4.5.0

|-

| [[Molecular Operating Environment|MOE]]

| HyperChem

| {{yes}}

| {{yes}}

| {{some|As BIO+ implementation}}

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| MM+ available

|-

| [http://www.chemcomp.com/ MOE]

| {{yes|AA}}

| {{yes|89, 94, 99, also with Extended Hückel Theory}}

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|

|-

| [[Openbabel]]

| [http://www.exorga.com/ StruMM3D (STR3DI32)]

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{yes}}

| {{no}}

| {{yes}}

| {{yes|94, 94s}}

| {{no}}

| {{yes}}

| [[Molecule]]s and clusters

|-

|-

| [[Q (software)|Q]]

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| {{yes|19, 27}}

| {{no}}

| {{noyes|94}}

| {{no}}

| {{no}}

| For [[protein]]s, [[Organic compound|organic molecules]]

|-

| [http://towhee.sourceforge.net/ Towhee]

| {{yes|UA, AA}}

| {{yes|86}}

| {{yes|19, 22, 27}}

| {{no}}

| {{yes|94}}

| {{no}}

| {{yes}}

| [[Monte Carlo method|Monte Carlo]]

|-

| [[Yasara]]

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{{Reflist}}

[[Category:Force fields (chemistry)]]

[[Category:Molecular modelling]]

[[Category:Software comparisons]]