Comparison of force-field implementations: Difference between revisions

Revision as of 07:59, 25 March 2020

Revision as of 14:47, 19 July 2020

Line 1:

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"

Line 13:

! Comments

|-

| [[Abalone]]

| [http://www.biomolecular-modeling.com/Abalone/ 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>}}

Line 23:

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

|-

| [[ACEMD]]

| {{yes}}

| {{yes}}

Line 43:

|

|-

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

| {{no}}

| {{yes}}

Line 73:

|

|-

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

| {{no}}

| {{no}}

Line 103:

| * in standard distribution

|-

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

| {{no}}

| {{no}}

Line 113:

|

|-

| [[Chemkit]]

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

| {{yes}}

| {{yes}}

Line 153:

| * in standard distribution since v4.5.0

|-

| [[HyperChem]]

| {{yes}}

| {{yes}}

Line 163:

| MM+ available

|-

| [[Molecular Operating Environment|MOE]]

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

| {{yes|AA}}

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

Line 183:

|

|-

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

| {{no}}

| {{no}}

Line 213:

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

|-

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

| {{yes|UA, AA}}

| {{yes|86}}