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Scripting
Macromodel
Maestro Python Phase
  1. Workflow
    Python Script Node Use-cases
    Scripting Macromodel Python
    The Python Script nodes are used to extract ring properties, run a Macromodel conformational search with specific parameters, and…
    schroedinger > Workflow_examples > Scripting > Python script > Python script 1
    0
    schroedinger
  2. Workflow
    Run Maestro Command Node Use-cases
    Scripting Maestro Macromodel
    The Run maestro command node is used to alter the formal charge of some atoms defined by an ASL and for altering the structure re…
    schroedinger > Workflow_examples > Scripting > Maestro commands > Maestro commands
    0
    schroedinger
  3. Workflow
    Chemistry External Tool Node Use-cases
    Scripting Maestro Phase
    +1
    The Chemistry external tool nodes can be used to parse a log file with basic shell commands, run Shrodinger utilities or backends…
    schroedinger > Workflow_examples > Scripting > Chemistry external tool > Chemistry external tool 1-2
    0
    schroedinger
  4. Workflow
    Python Script Node Use-cases
    Scripting Macromodel Python
    The Python Script nodes are used to extract ring properties, run a Macromodel conformational search with specific parameters, and…
    schroedinger > Workflow_examples > Scripting > Python script > Python script 1-2
    0
    schroedinger