Difference between revisions of "Schrodinger Suite"
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(Created page with "Category:SoftwareCategory:Computational ChemistryCategory:Molecular Dynamics {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|schrodinger}} |{{#vardefine:url|htt...") |
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| − | [[Category:Software]][[Category: | + | [[Category:Software]][[Category:Chemistry]][[Category:Molecular Dynamics]] |
{|<!--CONFIGURATION: REQUIRED--> | {|<!--CONFIGURATION: REQUIRED--> | ||
|{{#vardefine:app|schrodinger}} | |{{#vardefine:app|schrodinger}} | ||
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Schrodinger Suite contains a large number of products suited for different tasks, from small molecule modelling to advanced pharmaceutical research, as well as visualization and automation tools. | Schrodinger Suite contains a large number of products suited for different tasks, from small molecule modelling to advanced pharmaceutical research, as well as visualization and automation tools. | ||
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| + | {{note|Schrodinger suite is licensed software. UFRC hosts Schrodinger suite for license holders. Please review Schrodinger website how to acquire a license and pricing. |warn}} | ||
<!--Modules--> | <!--Modules--> | ||
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Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | ||
==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
<!--Configuration--> | <!--Configuration--> | ||
{{#if: {{#var: conf}}|==Configuration== | {{#if: {{#var: conf}}|==Configuration== | ||
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WRITE_ADDITIONAL_INSTRUCTIONS_ON_RUNNING_THE_SOFTWARE_IF_NECESSARY | WRITE_ADDITIONAL_INSTRUCTIONS_ON_RUNNING_THE_SOFTWARE_IF_NECESSARY | ||
| − | + | }} | |
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<!--Job Scripts--> | <!--Job Scripts--> | ||
{{#if: {{#var: job}}|==Job Script Examples== | {{#if: {{#var: job}}|==Job Script Examples== | ||
Latest revision as of 17:36, 30 July 2024
Description
Schrodinger Suite contains a large number of products suited for different tasks, from small molecule modelling to advanced pharmaceutical research, as well as visualization and automation tools.
Schrodinger suite is licensed software. UFRC hosts Schrodinger suite for license holders. Please review Schrodinger website how to acquire a license and pricing.
Environment Modules
Run module spider schrodinger to find out what environment modules are available for this application.
System Variables
- HPC_SCHRODINGER_DIR - installation directory