Well rounded biologist/biotechnologist/biochemist/enzymologist/bioinformatician/computational biologist.
This is the analysis part of the Simulation Foundry, Version 1.5.
Download and unpack the zip file and the .sh bash script. Copy them into a folder which has a meaningful name.
Launch the bash script, following the instructions in the manual.
Make sure you followed the instructions in "Preparation" before running this.
Submitter: Gudrun Gygli
Biological problem addressed: various analyses of molecular dynamics simulations
Snapshots: No snapshots
Investigation: 1 hidden item
Study: Simulation Foundry for Methanol-Water Mixtures
Organisms: No organisms
Models: No Models
SOPs: ANALYSIS_1.5
Data files: No Data files
This is the simulation part of the Simulation Foundry, Version 1.5.
Download and unpack the zip file and the .sh bash script. Copy them into a folder which has a meaningful name.
Launch the bash script, following the instructions in the manual.
Make sure you followed the instructions in "Preparation" before running this.
Submitter: Gudrun Gygli
Assay type: Molecular Dynamics
Technology type: All-Atom
Snapshots: No snapshots
Investigation: 1 hidden item
Study: Simulation Foundry for Methanol-Water Mixtures
Organisms: No organisms
SOPs: SIMULATIONS_V1.5
Data files: No Data files
Preparation needed to use Simulation Foundry, Version 1.5.
Please read the manual before working with this Simulation Foundry.
Pay careful attention to the installation instructions.
Note the known issues.
Submitter: Gudrun Gygli
Assay type: Instructions
Technology type: Technical Computer Installation
Snapshots: No snapshots
Investigation: 1 hidden item
Study: Simulation Foundry for Methanol-Water Mixtures
Organisms: No organisms
SOPs: No SOPs
Data files: Installation Instructions
Master Bash script to launch Molecular Dynamics when running the Analysis part of Simulation Foundry.
Make sure you followed "Preparations" instructions!
Read the Manual!
Creator: Gudrun Gygli
Submitter: Gudrun Gygli
Investigations: 1 hidden item
Studies: Simulation Foundry for Methanol-Water Mixtures
Assays: Analysis Version 1.5
Master Bash script to launch Molecular Dynamics when running the Simulation part of Simulation Foundry.
Make sure you followed "Preparations" instructions!
Read the Manual!
Creator: Gudrun Gygli
Submitter: Gudrun Gygli
Investigations: 1 hidden item
Studies: Simulation Foundry for Methanol-Water Mixtures
Assays: Simulation Version 1.5
Scripts and Input Files for Analysis V1.5
Creator: Gudrun Gygli
Submitter: Gudrun Gygli
Investigations: 1 hidden item
Studies: Simulation Foundry for Methanol-Water Mixtures
Assays: Analysis Version 1.5
Scripts and Input Files for Simulation V1.5
Creator: Gudrun Gygli
Submitter: Gudrun Gygli
Investigations: 1 hidden item
Studies: Simulation Foundry for Methanol-Water Mixtures
Assays: Simulation Version 1.5