Enum: AnalysisSoftware¶

Software used to analyse simulation outputs.

URI: https://CCPBioSim.ac.uk/biosim-schema/AnalysisSoftware

Permissible Values¶

Value	Meaning	Description
Visual Molecular Dynamics (VMD)	None	VMD is a molecular visualization program for displaying, animating, and analy…
Schrödinger Maestro	None	Schrödinger Maestro is the primary graphical user interface (GUI) and workspa…
PyMOL	None	PyMOL is an advanced molecular visualization and structural analysis software…
Avogadro	None	Avogadro is an advanced, free, and open-source 3D molecular editor and visual…

Slots¶

Name	Description
analysis_software	Name of software used to analyse simulation

Identifier and Mapping Information¶

Schema Source¶

from schema: https://CCPBioSim.ac.uk/biosim-schema/

LinkML Source¶

name: AnalysisSoftware
description: Software used to analyse simulation outputs.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
permissible_values:
  Visual Molecular Dynamics (VMD):
    text: Visual Molecular Dynamics (VMD)
    description: VMD is a molecular visualization program for displaying, animating,
      and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
    aliases:
    - Visual Molecular Dynamics (VMD)
    - VMD
    - vmd
  Schrödinger Maestro:
    text: Schrödinger Maestro
    description: Schrödinger Maestro is the primary graphical user interface (GUI)
      and workspace for the Schrödinger computational suite. It allows scientists
      to build, visualize, and analyze 3D molecular structures
    aliases:
    - Schrödinger Maestro
    - Schrodinger Maestro
    - schrodinger_maestro
  PyMOL:
    text: PyMOL
    description: PyMOL is an advanced molecular visualization and structural analysis
      software used extensively in biochemistry, pharmacology, and structural biology.
    aliases:
    - PyMOL
    - pymol
  Avogadro:
    text: Avogadro
    description: Avogadro is an advanced, free, and open-source 3D molecular editor
      and visualization tool designed for computational chemistry, bioinformatics,
      and materials science.
    aliases:
    - Avogadro
    - avogadro