Difference between revisions of "VMD"
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* HPC_{{uc:{{#var:app}}}}_DIR - installation directory | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory | ||
* HPC_{{uc:{{#var:app}}}}_BIN - executable directory | * HPC_{{uc:{{#var:app}}}}_BIN - executable directory | ||
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{{#if: {{#var: exe}}|==How To Run== | {{#if: {{#var: exe}}|==How To Run== | ||
WRITE INSTRUCTIONS ON RUNNING THE ACTUAL BINARY|}} | WRITE INSTRUCTIONS ON RUNNING THE ACTUAL BINARY|}} | ||
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WRITE PERFORMANCE TESTING RESULTS HERE|}} | WRITE PERFORMANCE TESTING RESULTS HERE|}} | ||
{{#if: {{#var: faq}}|==Additional Information== | {{#if: {{#var: faq}}|==Additional Information== | ||
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If 3D visualization is required you will need to run this software on a HWGUI partition. | If 3D visualization is required you will need to run this software on a HWGUI partition. | ||
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Latest revision as of 17:33, 22 August 2022
Description
VMD is designed for modeling, visualization, and analysis of biological systems such as proteins, nucleic acids, lipid bilayer assemblies, etc. It may be used to view more general molecules, as VMD can read standard Protein Data Bank (PDB) files and display the contained structure. VMD provides a wide variety of methods for rendering and coloring a molecule: simple points and lines, CPK spheres and cylinders, licorice bonds, backbone tubes and ribbons, cartoon drawings, and others. VMD can be used to animate and analyze the trajectory of a molecular dynamics (MD) simulation. In particular, VMD can act as a graphical front end for an external MD program by displaying and animating a molecule undergoing simulation on a remote computer.
Environment Modules
Run module spider vmd to find out what environment modules are available for this application.
System Variables
- HPC_VMD_DIR - installation directory
- HPC_VMD_BIN - executable directory
Additional Information
If 3D visualization is required you will need to run this software on a HWGUI partition.
Citation
The authors request that all published work which utilizes VMD include the primary VMD citation at a minimum:
Humphrey, W., Dalke, A. and Schulten, K., "VMD - Visual Molecular Dynamics", J. Molec. Graphics, 1996, vol. 14, pp. 33-38.
For more information, visit the official How to Cite VMD webpage.