Delete Atoms

Delete atoms from a structure file, based on a Maestro ASL expression.

Backend implementation

$SCHRODINGER/run delete_atoms.py

Options

Output Column Structure
Choose the output columns:

Input plus Output - The input columns are included in the output.

Output replaces Input - The output columns are the same as the input, with the output structures replacing the input column selected

Output only - Only Output structures

ASL Expression
Maestro ASL expression to delete atoms

Input Ports

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Molecules in Maestro, Sd, Mol2 or PDB format

Output Ports

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Molecules without deleted atoms in Maestro, Sd, Mol2, Pdb or Smiles format

Views

Std output/error of Desalter
Std output/error of Delete Atoms

Workflows

Links

Developers

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