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MacroModel Labs LigPrep Maestro Parameter flow variables Prime Quick form Scripting Pharmacophore
  1. Workflow
    Phase Screening
    Pharmacophore Phase
    Screen a file against one hypothesis. Prepare a set of ligands and create a Phase database. Screen this database against several …
    schroedinger > Workflow_examples > Pharmacophore > Phase screening > Phase screening
    0
    schroedinger
  2. Workflow
    Parameter flow variable use-cases
    Labs MacroModel Phase
    +4
    Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for …
    schroedinger > Workflow_examples > Labs > Parameter flow variables > Parameter flow variables 1-2
    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
    Chemistry External Tool Node Use-cases
    Scripting Maestro Phase
    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
    0
    schroedinger
  5. Workflow
    Parameter flow variable use-cases
    Labs MacroModel Phase
    +4
    Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for …
    schroedinger > Workflow_examples > Labs > Parameter flow variables > Parameter flow variables 1
    0
    schroedinger