Comparison of force-field implementations: Difference between revisions

Revision as of 03:23, 15 August 2020

Revision as of 14:11, 15 August 2020

Line 22:

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

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

|-

| [[ACEMD]]

| {{yes}}

| {{yes}}

| {{yes}}

| {{yes}}

| {{no}}

| {{no}}

| {{no}}

|

|-

| [[AMBER]]

Line 42 ⟶ 32:

| {{no}}

|

|-

| [[ArgusLab]]

| {{no}}

| {{yes}}

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{yes}}

| Addition to [[quantum chemistry]]

|-

| [[Ascalaph Designer]]

Line 102 ⟶ 82:

| {{no}}

| * in standard distribution

|-

| [[ChemDoodle 3D]]

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{yes|94, 94s}}

| {{no}}

| {{yes}}

|

|-

| [[Chemkit]]

| {{yes}}

| {{yes}}

| {{no}}

| {{no}}

| {{yes}}

| {{no}}

| {{yes}}

|

|-

| [[Gabedit]]

Line 152 ⟶ 112:

| {{no}}

| * in standard distribution since v4.5.0

|-

| [[HyperChem]]

| {{yes}}

| {{yes}}

| {{some|As BIO+ implementation}}

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| MM+ available

|-

| [[Molecular Operating Environment|MOE]]

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| {{no}}

|

|-

| [[StruMM3D]]

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{no}}

| {{yes}}

| {{no}}

| [[Molecule]]s and clusters

|-

| [[Q (software)|Q]]